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

Systemtic Name: [1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [2-[(2-amino-1-benzyl-2-keto-ethyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C20H23N5O4/c1-12(29-19(28)14-7-9-15(10-8-14)24-20(22)23)18(27)25-16(17(21)26)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H2,21,26)(H,25,27)(H4,22,23,24)