(2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(2-Chloroethylcarbamoylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 38134-58-6]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(2-Chloroethylcarbamoylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-(2-Chloroethylcarbamoylsulfanylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[[[(2-Chloroethylamino)-Oxomethyl]Thio]Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(2-Chloroethylcarbamoylthio)Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₃H₂₁ClN₄O₇S
• Molecular Weight: 412.84
• CAS Registry Number: 38134-58-6
• SMILES: [C@H](C(NCC(=O)O)=O)(NC(=O)CC[C@@H](C(=O)O)N)CSC(=O)NCCCl
• InChI: 1S/C13H21ClN4O7S/c14-3-4-16-13(25)26-6-8(11(22)17-5-10(20)21)18-9(19)2-1-7(15)12(23)24/h7-8H,1-6,15H2,(H,16,25)(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1
• InChIKey: BXPMYWSZMJXCHC-YUMQZZPRSA-N

Properties

• Density: 1.475g/cm³ (Cal.)