benzenecarbonothioyl 5-[bis(azanyl)methylideneamino]-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoate

Systemtic Name: benzenecarbonothioyl 5-[bis(azanyl)methylideneamino]-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoate Openeye Name: benzenecarbonothioyl 2-[2-(benzyloxycarbonylamino)propanoylamino]-5-guanidino-pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid benzenecarbonothioyl ester IUPAC Name: benzenecarbonothioyl 5-(diaminomethylideneamino)-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-5-guanidino-valeric acid benzenecarbonothioyl ester Formula: C24H29N5O5S MolecularWeight: 499.58256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCCN=C(N)N)C(=O)OC(=S)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CCCN=C(N)N)C(=O)OC(=S)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H29N5O5S/c1-16(28-24(32)33-15-17-9-4-2-5-10-17)20(30)29-19(13-8-14-27-23(25)26)21(31)34-22(35)18-11-6-3-7-12-18/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,28,32)(H,29,30)(H4,25,26,27)