(4S)-4-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Chloromethylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 150956-90-4]

Identification

• Name: (4S)-4-Amino-5-[[(2R)-1-(Carboxymethylamino)-3-(Chloromethylsulfanyl)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-(Chloromethylsulfanylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(Chloromethylthio)Methyl]-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1R)-2-(Carboxymethylamino)-1-[(Chloromethylthio)Methyl]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₁H₁₈ClN₃O₆S
• Molecular Weight: 355.79
• CAS Registry Number: 150956-90-4
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](N)CCC(=O)O)=O)CSCCl
• InChI: 1S/C11H18ClN3O6S/c12-5-22-4-7(11(21)14-3-9(18)19)15-10(20)6(13)1-2-8(16)17/h6-7H,1-5,13H2,(H,14,21)(H,15,20)(H,16,17)(H,18,19)/t6-,7-/m0/s1
• InChIKey: KLNCYXOZAXNSKO-BQBZGAKWSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 782.206°C at 760 mmHg (Cal.)
• Flash point: 426.863°C (Cal.)