(S)-6-Amino-2-[[(Phenylmethoxy)Carbonyl]Amino]-Hexanethioic Acid S-(Phenylmethyl) Ester Monohydrochloride
[CAS# 69861-89-8]

Identification

• Name: (S)-6-Amino-2-[[(Phenylmethoxy)Carbonyl]Amino]-Hexanethioic Acid S-(Phenylmethyl) Ester Monohydrochloride
• Synonyms: S-Benzyl (2S)-6-Amino-2-Benzyloxycarbonylamino-Hexanethioate Hydrochloride; (2S)-6-Amino-2-Benzyloxycarbonylaminohexanethioic Acid S-Benzyl Ester Hydrochloride; (2S)-6-Amino-2-Benzyloxycarbonylamino-Hexanethioic Acid S-Benzyl Ester Hydrochloride
• Molecular Formula: C₂₁H₂₇ClN₂O₃S
• Molecular Weight: 422.97
• CAS Registry Number: 69861-89-8
• SMILES: [C@@H](NC(OCC1=CC=CC=C1)=O)(C(SCC2=CC=CC=C2)=O)CCCCN.[H+].[Cl-]
• InChI: 1S/C21H26N2O3S.ClH/c22-14-8-7-13-19(20(24)27-16-18-11-5-2-6-12-18)23-21(25)26-15-17-9-3-1-4-10-17;/h1-6,9-12,19H,7-8,13-16,22H2,(H,23,25);1H/t19-;/m0./s1
• InChIKey: PNDSXGXPDJRQAV-FYZYNONXSA-N

Properties

• Boiling point: 566.3°C at 760 mmHg (Cal.)
• Flash point: 296.3°C (Cal.)