(3R,5S)-4-acetamido-5-azanyl-3-(hexan-3-ylamino)cyclohexene-1-carboxylic acid

Systemtic Name: (3R,5S)-4-acetamido-5-azanyl-3-(hexan-3-ylamino)cyclohexene-1-carboxylic acid Openeye Name: (3R,5S)-4-acetamido-5-amino-3-(1-ethylbutylamino)cyclohexene-1-carboxylic acid CAS Name: (3R,5S)-4-acetamido-5-amino-3-(hexan-3-ylamino)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,5S)-4-acetamido-5-amino-3-(hexan-3-ylamino)cyclohexene-1-carboxylic acid Traditional Name: (3R,5S)-4-acetamido-5-amino-3-(1-ethylbutylamino)cyclohexene-1-carboxylic acid Formula: C15H27N3O3 MolecularWeight: 297.39318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)NC1C=C(CC(C1NC(=O)C)N)C(=O)O

Isomeric SMILES

CCCC(CC)N[C@@H]1C=C(C[C@@H](C1NC(=O)C)N)C(=O)O

InChI

InChI=1S/C15H27N3O3/c1-4-6-11(5-2)18-13-8-10(15(20)21)7-12(16)14(13)17-9(3)19/h8,11-14,18H,4-7,16H2,1-3H3,(H,17,19)(H,20,21)/t11?,12-,13+,14?/m0/s1