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

Systemtic Name: 3-[[5-oxidanylidene-1-[7-(thiophen-2-ylmethylamino)naphthalen-2-yl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[7-(2-thienylmethylamino)-2-naphthyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[7-(thiophen-2-ylmethylamino)-2-naphthalenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[7-(thiophen-2-ylmethylamino)naphthalen-2-yl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[7-(2-thenylamino)-2-naphthyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=CC(=C3)NCC4=CC=CS4)C=C2)C(=O)NC(CC(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1C(CN(C1=O)C2=CC3=C(C=CC(=C3)NCC4=CC=CS4)C=C2)C(=O)NC(CC(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C28H26N4O4S/c33-26-13-21(28(36)31-25(14-27(34)35)19-3-1-9-29-15-19)17-32(26)23-8-6-18-5-7-22(11-20(18)12-23)30-16-24-4-2-10-37-24/h1-12,15,21,25,30H,13-14,16-17H2,(H,31,36)(H,34,35)