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

Systemtic Name: 3-[[5-oxidanylidene-1-[1-(thiophen-2-ylmethylamino)naphthalen-2-yl]pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[5-oxo-1-[1-(2-thienylmethylamino)-2-naphthyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[5-oxo-1-[1-(thiophen-2-ylmethylamino)-2-naphthalenyl]-3-pyrrolidinyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[5-oxo-1-[1-(thiophen-2-ylmethylamino)naphthalen-2-yl]pyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[1-(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=C(C3=CC=CC=C3C=C2)NCC4=CC=CS4)C(=O)NC(CC(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1C(CN(C1=O)C2=C(C3=CC=CC=C3C=C2)NCC4=CC=CS4)C(=O)NC(CC(=O)O)C5=CN=CC=C5

InChI

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