(2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(1-Hydroxybut-3-En-2-Ylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 133872-49-8]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(1-Hydroxybut-3-En-2-Ylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[1-(Hydroxymethyl)Prop-2-Enylsulfanylmethyl]-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[1-(Hydroxymethyl)Prop-2-Enylthio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-2-Keto-1-[(1-Methylolprop-2-Enylthio)Methyl]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₄H₂₃N₃O₇S
• Molecular Weight: 377.41
• CAS Registry Number: 133872-49-8
• SMILES: [C@@H](NC(=O)CC[C@H](N)C(=O)O)(C(=O)NCC(=O)O)CSC(CO)C=C
• InChI: 1S/C14H23N3O7S/c1-2-8(6-18)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: NOXPKNNHYRDDCI-AGROOBSYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 836.957°C at 760 mmHg (Cal.)
• Flash point: 459.975°C (Cal.)