(4S)-4-Amino-5-[[(2R)-3-[(2R)-2-Hydroxypropanoyl]Sulfanyl-1-[(2-Methoxy-2-Oxoethyl)Amino]-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 146288-21-3]

Identification

• Name: (4S)-4-Amino-5-[[(2R)-3-[(2R)-2-Hydroxypropanoyl]Sulfanyl-1-[(2-Methoxy-2-Oxoethyl)Amino]-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1R)-1-[[(2R)-2-Hydroxypropanoyl]Sulfanylmethyl]-2-[(2-Methoxy-2-Oxo-Ethyl)Amino]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1R)-1-[[[(2R)-2-Hydroxy-1-Oxopropyl]Thio]Methyl]-2-[(2-Methoxy-2-Oxoethyl)Amino]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-Keto-5-[[(1R)-2-Keto-2-[(2-Keto-2-Methoxy-Ethyl)Amino]-1-[(Lactoylthio)Methyl]Ethyl]Amino]Valeric Acid
• Molecular Formula: C₁₄H₂₃N₃O₈S
• Molecular Weight: 393.41
• CAS Registry Number: 146288-21-3
• SMILES: [C@H](C(NCC(=O)OC)=O)(NC([C@@H](N)CCC(=O)O)=O)CSC([C@@H](C)O)=O
• InChI: 1S/C14H23N3O8S/c1-7(18)14(24)26-6-9(13(23)16-5-11(21)25-2)17-12(22)8(15)3-4-10(19)20/h7-9,18H,3-6,15H2,1-2H3,(H,16,23)(H,17,22)(H,19,20)/t7-,8+,9+/m1/s1
• InChIKey: DWWUEEQNZSDZMN-VGMNWLOBSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 714.206°C at 760 mmHg (Cal.)
• Flash point: 385.738°C (Cal.)