Methyl (2S)-2-Amino-5-[[(2R)-1-[(2-Methoxy-2-Oxoethyl)Amino]-3-(Methylcarbamoylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoate
[CAS# 125974-22-3]

Identification

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

Properties

• Density: 1.296g/cm³ (Cal.)