Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-
TL;DR: Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- (CAS 63393-05-5) is a chemical compound with molecular formula C21H27N5O6S and molecular weight 477.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[(1S)-2-[[(2R)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-2-oxo-1-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-, 6-[(2-{[1,4-Dihydroxy-4-imino-2-(methylamino)butylidene]amino}-2-oxo-1-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(1S)-2-[[(2R)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-2-oxo-1-phenylethyl]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-(methylamino)butylidene]amino}-2-oxo-1-phenylethyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, RefChem:346270
| Molecular Formula | C21H27N5O6S |
|---|---|
| Molecular Weight | 477.17 g/mol |
| LogP | -1.061 |
| Topological Polar Surface Area | 170.93 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.1682 |
| Heavy Atoms | 33 |
| Complexity | 971.15173 |
Chemical Identifiers
| CAS Number | 63393-05-5 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)N[C@@H](C3=CC=CC=C3)C(=O)NC(=O)[C@@H](CC(=O)N)NC)C(=O)O)C |
Product Overview
Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- (CAS 63393-05-5), with molecular formula C21H27N5O6S and molecular weight 477.17 g/mol. IUPAC: 6-[[(1S)-2-[[(2R)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-2-oxo-1-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-
Property Insights of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-
The XLogP value of -1.061 indicates that Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, 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 170.93 Ų indicates high polarity, suggesting Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, 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-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
The CAS number of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- is 63393-05-5.
What is the molecular formula of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
The molecular formula of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- is C21H27N5O6S.
What is the molecular weight of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
The molecular weight of Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- is 477.17 g/mol.
Where can I buy Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
You can request a quote for Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))-?
Yes, KEHONG BIO provides custom synthesis services for Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-phenyl-, trihydrate, (2S-(2-alpha,5-alpha,6-beta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.