3-[2-[4-(phenylcarbamoylamino)butanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[4-(phenylcarbamoylamino)butanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[4-(phenylcarbamoylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[4-[[anilino(oxo)methyl]amino]-1-oxobutyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[4-(phenylcarbamoylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[4-(phenylcarbamoylamino)butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C28H30N4O5 MolecularWeight: 502.5616

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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)CCCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H30N4O5/c33-25(12-7-17-29-28(37)31-23-10-5-2-6-11-23)30-19-26(34)32-24(18-27(35)36)22-15-13-21(14-16-22)20-8-3-1-4-9-20/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,30,33)(H,32,34)(H,35,36)(H2,29,31,37)