(3R,5S)-4-acetamido-5-azanyl-3-[5-(diethylamino)pentan-2-ylamino]cyclohexene-1-carboxylic acid

Systemtic Name: (3R,5S)-4-acetamido-5-azanyl-3-[5-(diethylamino)pentan-2-ylamino]cyclohexene-1-carboxylic acid Openeye Name: (3R,5S)-4-acetamido-5-amino-3-[[4-(diethylamino)-1-methyl-butyl]amino]cyclohexene-1-carboxylic acid CAS Name: (3R,5S)-4-acetamido-5-amino-3-[5-(diethylamino)pentan-2-ylamino]-1-cyclohexenecarboxylic acid IUPAC Name: (3R,5S)-4-acetamido-5-amino-3-[5-(diethylamino)pentan-2-ylamino]cyclohexene-1-carboxylic acid Traditional Name: (3R,5S)-4-acetamido-5-amino-3-[[4-(diethylamino)-1-methyl-butyl]amino]cyclohexene-1-carboxylic acid Formula: C18H34N4O3 MolecularWeight: 354.48756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34N4O3/c1-5-22(6-2)9-7-8-12(3)20-16-11-14(18(24)25)10-15(19)17(16)21-13(4)23/h11-12,15-17,20H,5-10,19H2,1-4H3,(H,21,23)(H,24,25)/t12?,15-,16+,17?/m0/s1