3-[3-[carbamimidoyl(phenylmethoxycarbonyl)amino]phenyl]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[3-[carbamimidoyl(phenylmethoxycarbonyl)amino]phenyl]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-3-[3-[benzyloxycarbonyl(carbamimidoyl)amino]phenyl]propanoic acid CAS Name: 3-[3-[carbamimidoyl(phenylmethoxycarbonyl)amino]phenyl]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[3-[carbamimidoyl(phenylmethoxycarbonyl)amino]phenyl]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[3-[amidino(carbobenzoxy)amino]phenyl]-3-(benzyloxycarbonylamino)propionic acid Formula: C26H26N4O6 MolecularWeight: 490.50784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC(=CC=C2)N(C(=N)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC(=CC=C2)N(C(=N)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N4O6/c27-24(28)30(26(34)36-17-19-10-5-2-6-11-19)21-13-7-12-20(14-21)22(15-23(31)32)29-25(33)35-16-18-8-3-1-4-9-18/h1-14,22H,15-17H2,(H3,27,28)(H,29,33)(H,31,32)