(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]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-[(2-Methoxy-2-Oxoethyl)Amino]-3-(Methylcarbamoylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-[(2-Methoxy-2-Oxo-Ethyl)Amino]-1-(Methylcarbamoylsulfanylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-[(2-Methoxy-2-Oxoethyl)Amino]-1-[(Methylcarbamoylthio)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-Keto-5-[[(1R)-2-Keto-2-[(2-Keto-2-Methoxy-Ethyl)Amino]-1-[(Methylcarbamoylthio)Methyl]Ethyl]Amino]Valeric Acid
• Molecular Formula: C₁₃H₂₂N₄O₇S
• Molecular Weight: 378.40
• CAS Registry Number: 125974-20-1
• SMILES: [C@H](C(NCC(OC)=O)=O)(NC(CC[C@@H](C(O)=O)N)=O)CSC(NC)=O
• InChI: 1S/C13H22N4O7S/c1-15-13(23)25-6-8(11(20)16-5-10(19)24-2)17-9(18)4-3-7(14)12(21)22/h7-8H,3-6,14H2,1-2H3,(H,15,23)(H,16,20)(H,17,18)(H,21,22)/t7-,8-/m0/s1
• InChIKey: NXPNXQKWYNRVBX-YUMQZZPRSA-N

Properties

• Density: 1.364g/cm³ (Cal.)