3-[[5-oxidanylidene-1-[7-[(phenylmethyl)carbamoylamino]naphthalen-2-yl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-1-[7-[(phenylmethyl)carbamoylamino]naphthalen-2-yl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[7-(benzylcarbamoylamino)-2-naphthyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[7-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-naphthalenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[7-(benzylcarbamoylamino)naphthalen-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[7-(benzylcarbamoylamino)-2-naphthyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C31H29N5O5 MolecularWeight: 551.59246

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=CC(=C3)NC(=O)NCC4=CC=CC=C4)C=C2)C(=O)NC(CC(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=CC(=C3)NC(=O)NCC4=CC=CC=C4)C=C2)C(=O)NC(CC(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C31H29N5O5/c37-28-15-24(30(40)35-27(16-29(38)39)22-7-4-12-32-18-22)19-36(28)26-11-9-21-8-10-25(13-23(21)14-26)34-31(41)33-17-20-5-2-1-3-6-20/h1-14,18,24,27H,15-17,19H2,(H,35,40)(H,38,39)(H2,33,34,41)