4-[bis(azanyl)methylideneamino]-2,2-bis(phenylmethoxycarbonyl)butanoic acid

Systemtic Name: 4-[bis(azanyl)methylideneamino]-2,2-bis(phenylmethoxycarbonyl)butanoic acid Openeye Name: 2,2-bis(benzyloxycarbonyl)-4-guanidino-butanoic acid CAS Name: 4-(diaminomethylideneamino)-2,2-bis(phenylmethoxycarbonyl)butanoic acid IUPAC Name: 4-(diaminomethylideneamino)-2,2-bis(phenylmethoxycarbonyl)butanoic acid Traditional Name: 2,2-dicarbobenzoxy-4-guanidino-butyric acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCN=C(N)N)(C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCN=C(N)N)(C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c22-20(23)24-12-11-21(17(25)26,18(27)29-13-15-7-3-1-4-8-15)19(28)30-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,25,26)(H4,22,23,24)