2-[2-[[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]butanoic acid

Systemtic Name: 2-[2-[[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxy-phenyl)phenyl]amino]ethanoylamino]butanoic acid Openeye Name: 2-[[2-[2-(4-benzyloxy-3-methoxy-phenyl)-4-carbamimidoyl-anilino]acetyl]amino]butanoic acid CAS Name: 2-[[2-[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]-1-oxoethyl]amino]butanoic acid IUPAC Name: 2-[[2-[4-carbamimidoyl-2-(3-methoxy-4-phenylmethoxyphenyl)anilino]acetyl]amino]butanoic acid Traditional Name: 2-[[2-[4-amidino-2-(4-benzoxy-3-methoxy-phenyl)anilino]acetyl]amino]butyric acid Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(=O)CNC1=C(C=C(C=C1)C(=N)N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCC(C(=O)O)NC(=O)CNC1=C(C=C(C=C1)C(=N)N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H30N4O5/c1-3-21(27(33)34)31-25(32)15-30-22-11-9-19(26(28)29)13-20(22)18-10-12-23(24(14-18)35-2)36-16-17-7-5-4-6-8-17/h4-14,21,30H,3,15-16H2,1-2H3,(H3,28,29)(H,31,32)(H,33,34)