S-(phenylmethyl) (2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanethioate hydrochloride

Systemtic Name: S-(phenylmethyl) (2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanethioate hydrochloride Openeye Name: S-benzyl (2S)-6-amino-2-(benzyloxycarbonylamino)hexanethioate hydrochloride CAS Name: (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanethioic acid S-(phenylmethyl) ester hydrochloride IUPAC Name: S-benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanethioate hydrochloride Traditional Name: (2S)-6-amino-2-(benzyloxycarbonylamino)hexanethioic acid S-benzyl ester hydrochloride Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)SCC2=CC=CC=C2.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCN)C(=O)SCC2=CC=CC=C2.Cl

InChI

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