N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxidanylidene-but-3-en-2-yl)amino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxidanylidene-but-3-en-2-yl)amino]-5-oxidanylidene-5-phenylmethoxy-pentanoic acid Openeye Name: (2S)-5-benzyloxy-2-(1-ethoxycarbonylallylamino)-5-oxo-pentanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxo-5-phenylmethoxypentanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(1-ethoxy-1-oxobut-3-en-2-yl)amino]-5-oxo-5-phenylmethoxypentanoic acid Traditional Name: (2S)-5-benzoxy-2-(1-carbethoxyallylamino)-5-keto-valeric acid; dicyclohexylamine Formula: C30H46N2O6 MolecularWeight: 530.69604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=C)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CCOC(=O)C(C=C)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C18H23NO6.C12H23N/c1-3-14(18(23)24-4-2)19-15(17(21)22)10-11-16(20)25-12-13-8-6-5-7-9-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3,5-9,14-15,19H,1,4,10-12H2,2H3,(H,21,22);11-13H,1-10H2/t14?,15-;/m0./s1