[2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [2-[(2-amino-1-benzyl-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)COC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)COC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C19H21N5O4/c20-17(26)15(10-12-4-2-1-3-5-12)24-16(25)11-28-18(27)13-6-8-14(9-7-13)23-19(21)22/h1-9,15H,10-11H2,(H2,20,26)(H,24,25)(H4,21,22,23)