N-[2-(2-azanylethanoylamino)-3-(4-chlorophenyl)propanoyl]-3-carbamimidoyl-N-phenyl-benzamide

Systemtic Name: N-[2-(2-azanylethanoylamino)-3-(4-chlorophenyl)propanoyl]-3-carbamimidoyl-N-phenyl-benzamide Openeye Name: N-[2-[(2-aminoacetyl)amino]-3-(4-chlorophenyl)propanoyl]-3-carbamimidoyl-N-phenyl-benzamide CAS Name: N-[2-[(2-amino-1-oxoethyl)amino]-3-(4-chlorophenyl)-1-oxopropyl]-3-carbamimidoyl-N-phenylbenzamide IUPAC Name: N-[2-[(2-aminoacetyl)amino]-3-(4-chlorophenyl)propanoyl]-3-carbamimidoyl-N-phenylbenzamide Traditional Name: 3-amidino-N-[3-(4-chlorophenyl)-2-(glycylamino)propanoyl]-N-phenyl-benzamide Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(=O)C2=CC=CC(=C2)C(=N)N)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)N(C(=O)C2=CC=CC(=C2)C(=N)N)C(=O)C(CC3=CC=C(C=C3)Cl)NC(=O)CN

InChI

InChI=1S/C25H24ClN5O3/c26-19-11-9-16(10-12-19)13-21(30-22(32)15-27)25(34)31(20-7-2-1-3-8-20)24(33)18-6-4-5-17(14-18)23(28)29/h1-12,14,21H,13,15,27H2,(H3,28,29)(H,30,32)