3-[2-[3-(naphthalen-1-ylcarbamoylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 3-[2-[3-(naphthalen-1-ylcarbamoylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(1-naphthylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[3-[[(1-naphthalenylamino)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(naphthalen-1-ylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(1-naphthylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C31H30N4O5 MolecularWeight: 538.5937

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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)CCNC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCNC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C31H30N4O5/c36-28(17-18-32-31(40)35-26-12-6-10-23-9-4-5-11-25(23)26)33-20-29(37)34-27(19-30(38)39)24-15-13-22(14-16-24)21-7-2-1-3-8-21/h1-16,27H,17-20H2,(H,33,36)(H,34,37)(H,38,39)(H2,32,35,40)