(2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Ethylcarbamoylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 38126-72-6]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Ethylcarbamoylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-(Ethylcarbamoylsulfanylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(Ethylcarbamoylthio)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(Ethylcarbamoylthio)Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₃H₂₂N₄O₇S
• Molecular Weight: 378.40
• CAS Registry Number: 38126-72-6
• SMILES: [C@@H](C(O)=O)(CCC(N[C@H](C(NCC(O)=O)=O)CSC(NCC)=O)=O)N
• InChI: 1S/C13H22N4O7S/c1-2-15-13(24)25-6-8(11(21)16-5-10(19)20)17-9(18)4-3-7(14)12(22)23/h7-8H,2-6,14H2,1H3,(H,15,24)(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t7-,8-/m0/s1
• InChIKey: HXRQESRLRUBISX-YUMQZZPRSA-N

Properties

• Density: 1.409g/cm³ (Cal.)