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

Systemtic Name: 3-[2-[3-(naphthalen-2-ylcarbamoylamino)propanoylamino]ethanoylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 3-[[2-[3-(2-naphthylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 3-[[2-[[3-[[(2-naphthalenylamino)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 3-[[2-[3-(naphthalen-2-ylcarbamoylamino)propanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 3-[[2-[3-(2-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=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(CC(=O)O)NC(=O)CNC(=O)CCNC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

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