H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH
TL;DR: H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH (CAS 59926-78-2) is a chemical compound with molecular formula C23H39N5O5S2 and molecular weight 529.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylidenepropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpent-4-enoyl]amino]-4-methylpentanethioic S-acid
Also Known As: Malformin C, Malformin A, 5-L-leucine, (2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-AMINOPROPANAMIDO]-2-(METHANETHIOYL)ACETAMIDO]-3-METHYLBUTANAMIDO]-4-METHYLPENT-4-ENAMIDO]-4-METHYLPENTANETHIOIC S-ACID, (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylidenepropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpent-4-enoyl]amino]-4-methylpentanethioic S-acid
| Molecular Formula | C23H39N5O5S2 |
|---|---|
| Molecular Weight | 529.24 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 529.23926 |
| Heavy Atoms | 35 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 59926-78-2 |
|---|---|
| SMILES | C[C@H](C(=O)N[C@H](C=S)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(=C)C)C(=O)N[C@@H](CC(C)C)C(=O)S)N |
| InChIKey | OCOJQERGBWDTLE-SFFUCWETSA-N |
Product Overview
H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH (CAS 59926-78-2), with molecular formula C23H39N5O5S2 and molecular weight 529.24 g/mol. IUPAC: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-sulfanylidenepropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpent-4-enoyl]amino]-4-methylpentanethioic S-acid.
Chemical Property Profile of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH
Property Insights of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH. The TPSA of 193.0 Ų indicates high polarity, suggesting H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH?
The CAS number of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH is 59926-78-2.
What is the molecular formula of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH?
The molecular formula of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH is C23H39N5O5S2.
What is the molecular weight of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH?
The molecular weight of H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH is 529.24 g/mol.
Where can I buy H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH?
You can request a quote for H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH?
Yes, KEHONG BIO provides custom synthesis services for H-D-Ala-D-Gly(thioformyl)-Val-D-Leu(4,5-dehydro)-Leu-SH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.