benzenecarbonothioyl (2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: benzenecarbonothioyl (2S)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzenecarbonothioyl (2S)-6-amino-2-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid benzenecarbonothioyl ester IUPAC Name: benzenecarbonothioyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-6-amino-2-(benzyloxycarbonylamino)hexanoic acid benzenecarbonothioyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)OC(=S)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCCN)C(=O)OC(=S)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c22-14-8-7-13-18(19(24)27-20(28)17-11-5-2-6-12-17)23-21(25)26-15-16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15,22H2,(H,23,25)/t18-/m0/s1