3-[ethanoyl-[5-(pyridin-2-ylamino)pentanoylamino]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid

Systemtic Name: 3-[ethanoyl-[5-(pyridin-2-ylamino)pentanoylamino]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid Openeye Name: 3-[acetyl-[5-(2-pyridylamino)pentanoylamino]amino]-3-[4-(1-naphthyl)phenyl]propanoic acid CAS Name: 3-[acetyl-[[1-oxo-5-(2-pyridinylamino)pentyl]amino]amino]-3-[4-(1-naphthalenyl)phenyl]propanoic acid IUPAC Name: 3-[acetyl-[5-(pyridin-2-ylamino)pentanoylamino]amino]-3-(4-naphthalen-1-ylphenyl)propanoic acid Traditional Name: 3-[acetyl-[5-(2-pyridylamino)pentanoylamino]amino]-3-[4-(1-naphthyl)phenyl]propionic acid Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)NC(=O)CCCCNC4=CC=CC=N4

Isomeric SMILES

CC(=O)N(C(CC(=O)O)C1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)NC(=O)CCCCNC4=CC=CC=N4

InChI

InChI=1S/C31H32N4O4/c1-22(36)35(34-30(37)14-5-7-20-33-29-13-4-6-19-32-29)28(21-31(38)39)25-17-15-24(16-18-25)27-12-8-10-23-9-2-3-11-26(23)27/h2-4,6,8-13,15-19,28H,5,7,14,20-21H2,1H3,(H,32,33)(H,34,37)(H,38,39)