(3R,4R,5S)-4-acetamido-5-azanyl-3-(1-cyclohex-3-en-1-ylpropylamino)cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-(1-cyclohex-3-en-1-ylpropylamino)cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-cyclohex-3-en-1-ylpropylamino)cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[1-(1-cyclohex-3-enyl)propylamino]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-cyclohex-3-en-1-ylpropylamino)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-(1-cyclohex-3-en-1-ylpropylamino)cyclohexene-1-carboxylic acid Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC=CC1)NC2C=C(CC(C2NC(=O)C)N)C(=O)O

Isomeric SMILES

CCC(C1CCC=CC1)N[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N)C(=O)O

InChI

InChI=1S/C18H29N3O3/c1-3-15(12-7-5-4-6-8-12)21-16-10-13(18(23)24)9-14(19)17(16)20-11(2)22/h4-5,10,12,14-17,21H,3,6-9,19H2,1-2H3,(H,20,22)(H,23,24)/t12?,14-,15?,16+,17+/m0/s1