(2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(2-Hydroxybut-3-Enylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 133872-48-7]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(2-Hydroxybut-3-Enylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-(2-Hydroxybut-3-Enylsulfanylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(2-Hydroxybut-3-Enylthio)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(2-Hydroxybut-3-Enylthio)Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₄H₂₃N₃O₇S
• Molecular Weight: 377.41
• CAS Registry Number: 133872-48-7
• SMILES: [C@@H](C(=O)NCC(=O)O)(CSCC(C=C)O)NC(CC[C@@H](C(=O)O)N)=O
• InChI: 1S/C14H23N3O7S/c1-2-8(18)6-25-7-10(13(22)16-5-12(20)21)17-11(19)4-3-9(15)14(23)24/h2,8-10,18H,1,3-7,15H2,(H,16,22)(H,17,19)(H,20,21)(H,23,24)/t8?,9-,10-/m0/s1
• InChIKey: DJDZSKKPHYBDRV-AGROOBSYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 826.388°C at 760 mmHg (Cal.)
• Flash point: 453.583°C (Cal.)