(2S)-2-Amino-4-[[(1R)-2-(Ethylcarbamoylsulfanyl)-1-(Methoxycarbonylmethylcarbamoyl)Ethyl]Carbamoyl]Butanoic Acid
[CAS# 125974-21-2]

Identification

• Name: (2S)-2-Amino-4-[[(1R)-2-(Ethylcarbamoylsulfanyl)-1-(Methoxycarbonylmethylcarbamoyl)Ethyl]Carbamoyl]Butanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-1-(Ethylcarbamoylsulfanylmethyl)-2-[(2-Methoxy-2-Oxo-Ethyl)Amino]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[(Ethylcarbamoylthio)Methyl]-2-[(2-Methoxy-2-Oxoethyl)Amino]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[(Ethylcarbamoylthio)Methyl]-2-Keto-2-[(2-Keto-2-Methoxy-Ethyl)Amino]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₄H₂₄N₄O₇S
• Molecular Weight: 392.43
• CAS Registry Number: 125974-21-2
• SMILES: [C@H](C(NCC(OC)=O)=O)(NC(CC[C@@H](C(O)=O)N)=O)CSC(NCC)=O
• InChI: 1S/C14H24N4O7S/c1-3-16-14(24)26-7-9(12(21)17-6-11(20)25-2)18-10(19)5-4-8(15)13(22)23/h8-9H,3-7,15H2,1-2H3,(H,16,24)(H,17,21)(H,18,19)(H,22,23)/t8-,9-/m0/s1
• InChIKey: IOFRNMBKJQLKBY-IUCAKERBSA-N

Properties

• Density: 1.335g/cm³ (Cal.)