(3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-3-yl]phenyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-3-yl]phenyl]-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-[6-(2-oxopyrrolidin-1-yl)-3-pyridyl]phenyl]thiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: (3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-[6-(2-oxo-1-pyrrolidinyl)-3-pyridinyl]phenyl]-2-thiazolyl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-[6-(2-oxopyrrolidin-1-yl)pyridin-3-yl]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3R)-3-(cyclopentylmethyl)-4-[cyclopropyl-[4-[2-[6-(2-ketopyrrolidino)-3-pyridyl]phenyl]thiazol-2-yl]amino]-4-keto-butyric acid Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(CC(=O)O)C(=O)N(C2CC2)C3=NC(=CS3)C4=CC=CC=C4C5=CN=C(C=C5)N6CCCC6=O

Isomeric SMILES

C1CCC(C1)C[C@H](CC(=O)O)C(=O)N(C2CC2)C3=NC(=CS3)C4=CC=CC=C4C5=CN=C(C=C5)N6CCCC6=O

InChI

InChI=1S/C31H34N4O4S/c36-28-10-5-15-34(28)27-14-11-21(18-32-27)24-8-3-4-9-25(24)26-19-40-31(33-26)35(23-12-13-23)30(39)22(17-29(37)38)16-20-6-1-2-7-20/h3-4,8-9,11,14,18-20,22-23H,1-2,5-7,10,12-13,15-17H2,(H,37,38)/t22-/m1/s1