(3R,4R,5S)-4-acetamido-5-[(N'-methylcarbamimidoyl)amino]-3-propoxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-[(N'-methylcarbamimidoyl)amino]-3-propoxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-[(N'-methylcarbamimidoyl)amino]-3-propoxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-[[amino(methylimino)methyl]amino]-3-propoxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-[(N'-methylcarbamimidoyl)amino]-3-propoxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-[(N'-methylamidino)amino]-3-propoxy-cyclohexene-1-carboxylic acid Formula: C14H24N4O4 MolecularWeight: 312.36476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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