2-[[4-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-3-phenylmethoxycarbonyl-phenyl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-3-phenylmethoxycarbonyl-phenyl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[3-benzyloxycarbonyl-4-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]benzoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-3-phenylmethoxycarbonylphenyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-3-phenylmethoxycarbonylbenzoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-3-carbobenzoxy-benzoyl]amino]-3-methyl-butyric acid Formula: C33H31N5O6 MolecularWeight: 593.62914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)C2=C(N=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)C2=C(N=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C33H31N5O6/c1-19(2)27(32(41)42)38-30(39)22-12-15-24(26(17-22)33(43)44-18-20-7-4-3-5-8-20)25-9-6-16-36-28(25)31(40)37-23-13-10-21(11-14-23)29(34)35/h3-17,19,27H,18H2,1-2H3,(H3,34,35)(H,37,40)(H,38,39)(H,41,42)