3-[[1-[3-(3,3-dimethylbutylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-[3-(3,3-dimethylbutylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(3,3-dimethylbutylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[(3,3-dimethylbutylamino)-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(3,3-dimethylbutylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(3,3-dimethylbutylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C26H33N5O5 MolecularWeight: 495.57072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)NC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)CCNC(=O)NC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C26H33N5O5/c1-26(2,3)9-11-28-25(36)29-19-7-4-8-20(13-19)31-16-18(12-22(31)32)24(35)30-21(14-23(33)34)17-6-5-10-27-15-17/h4-8,10,13,15,18,21H,9,11-12,14,16H2,1-3H3,(H,30,35)(H,33,34)(H2,28,29,36)