(3S)-3-azanyl-4-[[(E)-4-(2-tert-butylcyclopentyl)-1-oxidanyl-but-3-en-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(E)-4-(2-tert-butylcyclopentyl)-1-oxidanyl-but-3-en-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(E)-3-(2-tert-butylcyclopentyl)-1-(hydroxymethyl)allyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(E)-4-(2-tert-butylcyclopentyl)-1-hydroxybut-3-en-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(E)-4-(2-tert-butylcyclopentyl)-1-hydroxybut-3-en-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(E)-3-(2-tert-butylcyclopentyl)-1-methylol-allyl]amino]-4-keto-butyric acid Formula: C17H30N2O4 MolecularWeight: 326.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCC1C=CC(CO)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)(C)C1CCCC1/C=C/C(CO)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C17H30N2O4/c1-17(2,3)13-6-4-5-11(13)7-8-12(10-20)19-16(23)14(18)9-15(21)22/h7-8,11-14,20H,4-6,9-10,18H2,1-3H3,(H,19,23)(H,21,22)/b8-7+/t11?,12?,13?,14-/m0/s1