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

Systemtic Name: 3-[[1-[3-(cyclohexylmethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(cyclohexylmethylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[(cyclohexylmethylamino)-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(cyclohexylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[1-[3-(cyclohexylmethylcarbamoylamino)phenyl]-5-keto-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H33N5O5 MolecularWeight: 507.58142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)NC2=CC=CC(=C2)N3CC(CC3=O)C(=O)NC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C27H33N5O5/c33-24-12-20(26(36)31-23(14-25(34)35)19-8-5-11-28-16-19)17-32(24)22-10-4-9-21(13-22)30-27(37)29-15-18-6-2-1-3-7-18/h4-5,8-11,13,16,18,20,23H,1-3,6-7,12,14-15,17H2,(H,31,36)(H,34,35)(H2,29,30,37)