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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1CC(=CC(C1NC(=O)C)N=C(N)N)C(=O)O

Isomeric SMILES

CCC(CC)O[C@@H]1CC(=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/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1