TL;DR: (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid (CAS 125974-20-1) is a chemical compound with molecular formula C13H22N4O7S and molecular weight 378.1209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, (2S)-2-Amino-4-(((1S)-1-(methoxycarbonylmethylcarbamoyl)-2-(methylcarbamoylsulfanyl)ethyl)carbamoyl)butanoic acid, 5-[(3,7-Dihydroxy-10-oxo-11-oxa-4-thia-2,8-diazadodeca-2,7-dien-6-yl)imino]-5-hydroxynorvaline, 5-{[(6R)-3,7-Dihydroxy-10-oxo-11-oxa-4-thia-2,8-diazadodeca-2,7-dien-6-yl]imino}-5-hydroxy-L-norvaline
| Molecular Formula | C13H22N4O7S |
| Molecular Weight | 378.1209 g/mol |
| XLogP | -4.2 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 378.1209 Da |
| Heavy Atoms | 25 |
| Complexity | 515.0 |
| SMILES | CNC(=O)SC[C@@H](C(=O)NCC(=O)OC)NC(=O)CC[C@@H](C(=O)O)N |
| InChIKey | NXPNXQKWYNRVBX-YUMQZZPRSA-N |
The XLogP value of -4.2 indicates that (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is 125974-20-1.
The molecular formula of (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is C13H22N4O7S.
The molecular weight of (2S)-2-amino-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-3-(methylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid is 378.1209 g/mol.
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