ethyl (3R,4R,5S)-4-acetamido-5-(2-azanylethanoylamino)-3-pentan-3-yloxy-cyclohexene-1-carboxylate; phosphoric acid

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-(2-azanylethanoylamino)-3-pentan-3-yloxy-cyclohexene-1-carboxylate; phosphoric acid Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-[(2-aminoacetyl)amino]-3-(1-ethylpropoxy)cyclohexene-1-carboxylate; phosphoric acid CAS Name: (3R,4R,5S)-4-acetamido-5-[(2-amino-1-oxoethyl)amino]-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester; phosphoric acid IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-[(2-aminoacetyl)amino]-3-pentan-3-yloxycyclohexene-1-carboxylate; phosphoric acid Traditional Name: (3R,4R,5S)-4-acetamido-3-(1-ethylpropoxy)-5-(glycylamino)cyclohexene-1-carboxylic acid ethyl ester; phosphoric acid Formula: C18H34N3O9P MolecularWeight: 467.451021

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)NC(=O)CN)C(=O)OCC.OP(=O)(O)O

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)NC(=O)CN)C(=O)OCC.OP(=O)(O)O

InChI

InChI=1S/C18H31N3O5.H3O4P/c1-5-13(6-2)26-15-9-12(18(24)25-7-3)8-14(21-16(23)10-19)17(15)20-11(4)22;1-5(2,3)4/h9,13-15,17H,5-8,10,19H2,1-4H3,(H,20,22)(H,21,23);(H3,1,2,3,4)/t14-,15+,17+;/m0./s1