(3R,4R,5S)-4-acetamido-5-(azanylmethylideneamino)-3-propoxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-(azanylmethylideneamino)-3-propoxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-(aminomethyleneamino)-3-propoxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-(aminomethylideneamino)-3-propoxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-(aminomethylideneamino)-3-propoxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-(aminomethyleneamino)-3-propoxy-cyclohexene-1-carboxylic acid Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1C=C(CC(C1NC(=O)C)N=CN)C(=O)O

Isomeric SMILES

CCCO[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=CN)C(=O)O

InChI

InChI=1S/C13H21N3O4/c1-3-4-20-11-6-9(13(18)19)5-10(15-7-14)12(11)16-8(2)17/h6-7,10-12H,3-5H2,1-2H3,(H2,14,15)(H,16,17)(H,18,19)/t10-,11+,12+/m0/s1