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

Systemtic Name: 3-(4-phenylphenyl)-3-[2-[4-(pyridin-2-ylamino)pentanoylamino]pentanoylamino]propanoic acid Openeye Name: 3-(4-phenylphenyl)-3-[2-[4-(2-pyridylamino)pentanoylamino]pentanoylamino]propanoic acid CAS Name: 3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)pentyl]amino]pentyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-(4-phenylphenyl)-3-[2-[4-(pyridin-2-ylamino)pentanoylamino]pentanoylamino]propanoic acid Traditional Name: 3-(4-phenylphenyl)-3-[2-[4-(2-pyridylamino)pentanoylamino]pentanoylamino]propionic acid Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(C)NC3=CC=CC=N3

Isomeric SMILES

CCCC(C(=O)NC(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(C)NC3=CC=CC=N3

InChI

InChI=1S/C30H36N4O4/c1-3-9-25(33-28(35)18-13-21(2)32-27-12-7-8-19-31-27)30(38)34-26(20-29(36)37)24-16-14-23(15-17-24)22-10-5-4-6-11-22/h4-8,10-12,14-17,19,21,25-26H,3,9,13,18,20H2,1-2H3,(H,31,32)(H,33,35)(H,34,38)(H,36,37)