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

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-[bis(azanyl)methylideneamino]-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-(diaminomethylideneamino)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-(diaminomethylideneamino)-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-guanidino-cyclohexene-1-carboxylic acid ethyl ester Formula: C17H30N4O4 MolecularWeight: 354.4445

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4O4/c1-5-12(6-2)25-14-9-11(16(23)24-7-3)8-13(21-17(18)19)15(14)20-10(4)22/h9,12-15H,5-8H2,1-4H3,(H,20,22)(H4,18,19,21)/t13-,14+,15+/m0/s1