(4S)-4-Amino-5-[[(2R)-1-[(2-Ethoxy-2-Oxoethyl)Amino]-3-[(2R)-2-Hydroxypropanoyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 145356-41-8]

Identification

• Name: (4S)-4-Amino-5-[[(2R)-1-[(2-Ethoxy-2-Oxoethyl)Amino]-3-[(2R)-2-Hydroxypropanoyl]Sulfanyl-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1R)-2-[(2-Ethoxy-2-Oxo-Ethyl)Amino]-1-[[(2R)-2-Hydroxypropanoyl]Sulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-[(2-Ethoxy-2-Oxoethyl)Amino]-1-[[[(2R)-2-Hydroxy-1-Oxopropyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-[(2-Ethoxy-2-Keto-Ethyl)Amino]-2-Keto-1-[(Lactoylthio)Methyl]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₅H₂₅N₃O₈S
• Molecular Weight: 407.44
• CAS Registry Number: 145356-41-8
• SMILES: [C@H](C(NCC(=O)OCC)=O)(NC([C@@H](N)CCC(=O)O)=O)CSC([C@@H](C)O)=O
• InChI: 1S/C15H25N3O8S/c1-3-26-12(22)6-17-14(24)10(7-27-15(25)8(2)19)18-13(23)9(16)4-5-11(20)21/h8-10,19H,3-7,16H2,1-2H3,(H,17,24)(H,18,23)(H,20,21)/t8-,9+,10+/m1/s1
• InChIKey: HWLDEBICSINTBN-UTLUCORTSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 715.631°C at 760 mmHg (Cal.)
• Flash point: 386.6°C (Cal.)