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

Systemtic Name: 3-[[1-[3-(hexylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(hexylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[(hexylamino)-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(hexylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(hexylcarbamoylamino)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O5/c1-2-3-4-5-12-28-26(36)29-20-9-6-10-21(14-20)31-17-19(13-23(31)32)25(35)30-22(15-24(33)34)18-8-7-11-27-16-18/h6-11,14,16,19,22H,2-5,12-13,15,17H2,1H3,(H,30,35)(H,33,34)(H2,28,29,36)