3-(4-phenylphenyl)-3-[2-[4-(pyridin-2-ylamino)butylcarbamoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[4-(pyridin-2-ylamino)butylcarbamoylamino]ethanoylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[[2-[4-(2-pyridylamino)butylcarbamoylamino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[4-(2-pyridinylamino)butylamino]methyl]amino]ethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[[2-[4-(pyridin-2-ylamino)butylcarbamoylamino]acetyl]amino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[[2-[4-(2-pyridylamino)butylcarbamoylamino]acetyl]amino]propionic acid Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)NCCCCNC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)NCCCCNC3=CC=CC=N3

InChI

InChI=1S/C27H31N5O4/c33-25(19-31-27(36)30-17-7-6-16-29-24-10-4-5-15-28-24)32-23(18-26(34)35)22-13-11-21(12-14-22)20-8-2-1-3-9-20/h1-5,8-15,23H,6-7,16-19H2,(H,28,29)(H,32,33)(H,34,35)(H2,30,31,36)