(3S)-3-[[5-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]pyridin-3-yl]carbonylamino]-5-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-3-[[5-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]pyridin-3-yl]carbonylamino]-5-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[5-[(3-ethoxy-3-oxo-propyl)carbamoyl]pyridine-3-carbonyl]amino]-5-[(4-fluorophenyl)methylsulfanyl]-4-oxo-pentanoic acid CAS Name: (3S)-3-[[[5-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-3-pyridinyl]-oxomethyl]amino]-5-[(4-fluorophenyl)methylthio]-4-oxopentanoic acid IUPAC Name: (3S)-3-[[5-[(3-ethoxy-3-oxopropyl)carbamoyl]pyridine-3-carbonyl]amino]-5-[(4-fluorophenyl)methylsulfanyl]-4-oxopentanoic acid Traditional Name: (3S)-3-[[5-[(3-ethoxy-3-keto-propyl)carbamoyl]nicotinoyl]amino]-5-[(4-fluorobenzyl)thio]-4-keto-valeric acid Formula: C24H26FN3O7S MolecularWeight: 519.542543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC(=CN=C1)C(=O)NC(CC(=O)O)C(=O)CSCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC(=CN=C1)C(=O)N[C@@H](CC(=O)O)C(=O)CSCC2=CC=C(C=C2)F

InChI

InChI=1S/C24H26FN3O7S/c1-2-35-22(32)7-8-27-23(33)16-9-17(12-26-11-16)24(34)28-19(10-21(30)31)20(29)14-36-13-15-3-5-18(25)6-4-15/h3-6,9,11-12,19H,2,7-8,10,13-14H2,1H3,(H,27,33)(H,28,34)(H,30,31)/t19-/m0/s1