4-azanyl-2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[4-[2-(1-hydroxycyclohexyl)ethynyl]benzoyl]amino]-4-keto-butyric acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O)O

InChI

InChI=1S/C19H22N2O5/c20-16(22)12-15(18(24)25)21-17(23)14-6-4-13(5-7-14)8-11-19(26)9-2-1-3-10-19/h4-7,15,26H,1-3,9-10,12H2,(H2,20,22)(H,21,23)(H,24,25)