3-(4-naphthalen-1-yl-2-oxidanyl-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-(4-naphthalen-1-yl-2-oxidanyl-phenyl)-3-[2-[4-(pyridin-2-ylamino)butanoylamino]ethanoylamino]propanoic acid Openeye Name: 3-[2-hydroxy-4-(1-naphthyl)phenyl]-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propanoic acid CAS Name: 3-[2-hydroxy-4-(1-naphthalenyl)phenyl]-3-[[1-oxo-2-[[1-oxo-4-(2-pyridinylamino)butyl]amino]ethyl]amino]propanoic acid IUPAC Name: 3-(2-hydroxy-4-naphthalen-1-ylphenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoic acid Traditional Name: 3-[2-hydroxy-4-(1-naphthyl)phenyl]-3-[[2-[4-(2-pyridylamino)butanoylamino]acetyl]amino]propionic acid Formula: C30H30N4O5 MolecularWeight: 526.583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C3=CC(=C(C=C3)C(CC(=O)O)NC(=O)CNC(=O)CCCNC4=CC=CC=N4)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C3=CC(=C(C=C3)C(CC(=O)O)NC(=O)CNC(=O)CCCNC4=CC=CC=N4)O

InChI

InChI=1S/C30H30N4O5/c35-26-17-21(23-10-5-8-20-7-1-2-9-22(20)23)13-14-24(26)25(18-30(38)39)34-29(37)19-33-28(36)12-6-16-32-27-11-3-4-15-31-27/h1-5,7-11,13-15,17,25,35H,6,12,16,18-19H2,(H,31,32)(H,33,36)(H,34,37)(H,38,39)