N-[2-[2-(2-azanylethanoylamino)ethanoyl-phenyl-amino]-3-methyl-butanoyl]-3-carbamimidoyl-N-phenyl-benzamide

Systemtic Name: N-[2-[2-(2-azanylethanoylamino)ethanoyl-phenyl-amino]-3-methyl-butanoyl]-3-carbamimidoyl-N-phenyl-benzamide Openeye Name: N-[2-(N-[2-[(2-aminoacetyl)amino]acetyl]anilino)-3-methyl-butanoyl]-3-carbamimidoyl-N-phenyl-benzamide CAS Name: N-[2-(N-[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]anilino)-3-methyl-1-oxobutyl]-3-carbamimidoyl-N-phenylbenzamide IUPAC Name: N-[2-(N-[2-[(2-aminoacetyl)amino]acetyl]anilino)-3-methylbutanoyl]-3-carbamimidoyl-N-phenylbenzamide Traditional Name: 3-amidino-N-[2-(N-[2-(glycylamino)acetyl]anilino)-3-methyl-butanoyl]-N-phenyl-benzamide Formula: C29H32N6O4 MolecularWeight: 528.60218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1=CC=CC=C1)C(=O)C2=CC=CC(=C2)C(=N)N)N(C3=CC=CC=C3)C(=O)CNC(=O)CN

Isomeric SMILES

CC(C)C(C(=O)N(C1=CC=CC=C1)C(=O)C2=CC=CC(=C2)C(=N)N)N(C3=CC=CC=C3)C(=O)CNC(=O)CN

InChI

InChI=1S/C29H32N6O4/c1-19(2)26(34(22-12-5-3-6-13-22)25(37)18-33-24(36)17-30)29(39)35(23-14-7-4-8-15-23)28(38)21-11-9-10-20(16-21)27(31)32/h3-16,19,26H,17-18,30H2,1-2H3,(H3,31,32)(H,33,36)