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

Systemtic Name: 3-azanyl-4-[[(E)-2-methyl-4-(2,2,5-trimethylcyclopentyl)but-3-en-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[(E)-1,1-dimethyl-3-(2,2,5-trimethylcyclopentyl)allyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[(E)-2-methyl-4-(2,2,5-trimethylcyclopentyl)but-3-en-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[(E)-2-methyl-4-(2,2,5-trimethylcyclopentyl)but-3-en-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[(E)-1,1-dimethyl-3-(2,2,5-trimethylcyclopentyl)allyl]amino]-4-keto-butyric acid Formula: C17H30N2O3 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O3/c1-11-6-8-16(2,3)12(11)7-9-17(4,5)19-15(22)13(18)10-14(20)21/h7,9,11-13H,6,8,10,18H2,1-5H3,(H,19,22)(H,20,21)/b9-7+