bis(azanyl)methylidene-[(4S)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-(phenylmethylsulfanyl)pentyl]azanium

Systemtic Name: bis(azanyl)methylidene-[(4S)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)-5-(phenylmethylsulfanyl)pentyl]azanium Openeye Name: [(4S)-4-(benzyloxycarbonylamino)-5-benzylsulfanyl-5-oxo-pentyl]-(diaminomethylene)ammonium CAS Name: diaminomethylidene-[(4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-(phenylmethylthio)pentyl]ammonium IUPAC Name: [(4S)-5-benzylsulfanyl-5-oxo-4-(phenylmethoxycarbonylamino)pentyl]-(diaminomethylidene)azanium Traditional Name: [(4S)-4-(benzyloxycarbonylamino)-5-(benzylthio)-5-keto-pentyl]-(diaminomethylene)ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC[NH+]=C(N)N)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c22-20(23)24-13-7-12-18(19(26)29-15-17-10-5-2-6-11-17)25-21(27)28-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,25,27)(H4,22,23,24)/p+1/t18-/m0/s1