3-azanyl-4-oxidanylidene-4-[[(E)-1-oxidanyl-1-oxidanylidene-4-(2,2,5-trimethylcyclopentyl)but-3-en-2-yl]amino]butanoic acid

Systemtic Name: 3-azanyl-4-oxidanylidene-4-[[(E)-1-oxidanyl-1-oxidanylidene-4-(2,2,5-trimethylcyclopentyl)but-3-en-2-yl]amino]butanoic acid Openeye Name: 3-amino-4-[[(E)-1-carboxy-3-(2,2,5-trimethylcyclopentyl)allyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[(E)-1-hydroxy-1-oxo-4-(2,2,5-trimethylcyclopentyl)but-3-en-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[(E)-1-hydroxy-1-oxo-4-(2,2,5-trimethylcyclopentyl)but-3-en-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[(E)-1-carboxy-3-(2,2,5-trimethylcyclopentyl)allyl]amino]-4-keto-butyric acid Formula: C16H26N2O5 MolecularWeight: 326.38804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1C=CC(C(=O)O)NC(=O)C(CC(=O)O)N)(C)C

Isomeric SMILES

CC1CCC(C1/C=C/C(C(=O)O)NC(=O)C(CC(=O)O)N)(C)C

InChI

InChI=1S/C16H26N2O5/c1-9-6-7-16(2,3)10(9)4-5-12(15(22)23)18-14(21)11(17)8-13(19)20/h4-5,9-12H,6-8,17H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/b5-4+