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

Systemtic Name: (3R,4R,5S)-4-acetamido-5-[bis(azanyl)methylideneamino]-3-butoxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-3-butoxy-5-guanidino-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-3-butoxy-5-(diaminomethylideneamino)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-3-butoxy-5-(diaminomethylideneamino)cyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-3-butoxy-5-guanidino-cyclohexene-1-carboxylic acid Formula: C14H24N4O4 MolecularWeight: 312.36476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C=C(CC(C1NC(=O)C)N=C(N)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O4/c1-3-4-5-22-11-7-9(13(20)21)6-10(18-14(15)16)12(11)17-8(2)19/h7,10-12H,3-6H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t10-,11+,12+/m0/s1