N-cyclohexylcyclohexanamine; (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[(3,5-dimethoxyphenyl)methoxy-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: dicyclohexylamine; (2S)-2-[(3,5-dimethoxybenzyl)oxycarbonylamino]-3-(1H-indol-3-yl)propionic acid Formula: C33H45N3O6 MolecularWeight: 579.7269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)OC.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)OC.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C21H22N2O6.C12H23N/c1-27-15-7-13(8-16(10-15)28-2)12-29-21(26)23-19(20(24)25)9-14-11-22-18-6-4-3-5-17(14)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-8,10-11,19,22H,9,12H2,1-2H3,(H,23,26)(H,24,25);11-13H,1-10H2/t19-;/m0./s1