2-azanyl-3-[2-[bis(azanyl)methylideneamino]ethyl]-2-oxidanyl-4-oxidanylidene-7-phenyl-3-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: 2-azanyl-3-[2-[bis(azanyl)methylideneamino]ethyl]-2-oxidanyl-4-oxidanylidene-7-phenyl-3-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: 2-amino-3-(benzyloxycarbonylamino)-3-(2-guanidinoethyl)-2-hydroxy-4-oxo-7-phenyl-heptanoic acid CAS Name: 2-amino-3-[2-(diaminomethylideneamino)ethyl]-2-hydroxy-4-oxo-7-phenyl-3-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: 2-amino-3-[2-(diaminomethylideneamino)ethyl]-2-hydroxy-4-oxo-7-phenyl-3-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: 2-amino-3-(benzyloxycarbonylamino)-3-(2-guanidinoethyl)-2-hydroxy-4-keto-7-phenyl-enanthic acid Formula: C24H31N5O6 MolecularWeight: 485.53284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)C(CCN=C(N)N)(C(C(=O)O)(N)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)C(CCN=C(N)N)(C(C(=O)O)(N)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H31N5O6/c25-21(26)28-15-14-23(24(27,34)20(31)32,19(30)13-7-12-17-8-3-1-4-9-17)29-22(33)35-16-18-10-5-2-6-11-18/h1-6,8-11,34H,7,12-16,27H2,(H,29,33)(H,31,32)(H4,25,26,28)