Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-
TL;DR: Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- (CAS 63341-26-4) is a chemical compound with molecular formula C23H31N5O7S and molecular weight 521.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(1S)-2-[[(2R)-4-amino-4-oxo-2-(propan-2-ylamino)butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-, 6-[[(1S)-2-[[(2R)-4-amino-4-oxo-2-(propan-2-ylamino)butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-{[(1S)-2-({(2R)-1,4-Dihydroxy-4-imino-2-[(propan-2-yl)amino]butylidene}amino)-1-(4-hydroxyphenyl)-2-oxoethyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-{[2-({1,4-Dihydroxy-4-imino-2-[(propan-2-yl)amino]butylidene}amino)-1-(4-hydroxyphenyl)-2-oxoethyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, RefChem:346253
| Molecular Formula | C23H31N5O7S |
|---|---|
| Molecular Weight | 521.19 g/mol |
| LogP | -0.5768 |
| Topological Polar Surface Area | 191.16 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.1944 |
| Heavy Atoms | 36 |
| Complexity | 1061.4373 |
Chemical Identifiers
| CAS Number | 63341-26-4 |
|---|---|
| SMILES | CC(C)N[C@H](CC(=O)N)C(=O)NC(=O)[C@H](C1=CC=C(C=C1)O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O |
Product Overview
Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- (CAS 63341-26-4), with molecular formula C23H31N5O7S and molecular weight 521.19 g/mol. IUPAC: 6-[[(1S)-2-[[(2R)-4-amino-4-oxo-2-(propan-2-ylamino)butanoyl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-
Property Insights of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-
The XLogP value of -0.5768 indicates that Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.16 Ų indicates high polarity, suggesting Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
The CAS number of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- is 63341-26-4.
What is the molecular formula of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
The molecular formula of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- is C23H31N5O7S.
What is the molecular weight of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
The molecular weight of Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- is 521.19 g/mol.
Where can I buy Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
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Does KEHONG BIO offer custom synthesis for Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
Yes, KEHONG BIO provides custom synthesis services for Glycinamide, N-(1-methylethyl)-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.