(3R,4R,5S)-4-acetamido-5-[bis(azanyl)methylideneamino]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-[bis(azanyl)methylideneamino]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-(diaminomethylideneamino)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-(diaminomethylideneamino)-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-cyclohexene-1-carboxylic acid Formula: C15H26N4O4 MolecularWeight: 326.39134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)N=C(N)N)C(=O)O

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=C(N)N)C(=O)O

InChI

InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1