[(5S)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)-6-(phenylmethylsulfanyl)hexyl]azanium

Systemtic Name: [(5S)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)-6-(phenylmethylsulfanyl)hexyl]azanium Openeye Name: [(5S)-5-(benzyloxycarbonylamino)-6-benzylsulfanyl-6-oxo-hexyl]ammonium CAS Name: [(5S)-6-oxo-5-(phenylmethoxycarbonylamino)-6-(phenylmethylthio)hexyl]ammonium IUPAC Name: [(5S)-6-benzylsulfanyl-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]azanium Traditional Name: [(5S)-5-(benzyloxycarbonylamino)-6-(benzylthio)-6-keto-hexyl]ammonium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCC[NH3+])C(=O)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCC[NH3+])C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/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)/p+1/t19-/m0/s1