(2S)-N-(12-azanyldodecyl)-2-(2-cyclohexylethanoylamino)-3-(4-hydroxyphenyl)propanamide

Systemtic Name: (2S)-N-(12-azanyldodecyl)-2-(2-cyclohexylethanoylamino)-3-(4-hydroxyphenyl)propanamide Openeye Name: (2S)-N-(12-aminododecyl)-2-[(2-cyclohexylacetyl)amino]-3-(4-hydroxyphenyl)propanamide CAS Name: (2S)-N-(12-aminododecyl)-2-[(2-cyclohexyl-1-oxoethyl)amino]-3-(4-hydroxyphenyl)propanamide IUPAC Name: (2S)-N-(12-aminododecyl)-2-[(2-cyclohexylacetyl)amino]-3-(4-hydroxyphenyl)propanamide Traditional Name: (2S)-N-(12-aminododecyl)-2-[(2-cyclohexylacetyl)amino]-3-(4-hydroxyphenyl)propionamide Formula: C29H49N3O3 MolecularWeight: 487.71766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCCCCCCCCCCCN

Isomeric SMILES

C1CCC(CC1)CC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCCCCCCCCCCCCN

InChI

InChI=1S/C29H49N3O3/c30-20-12-7-5-3-1-2-4-6-8-13-21-31-29(35)27(22-25-16-18-26(33)19-17-25)32-28(34)23-24-14-10-9-11-15-24/h16-19,24,27,33H,1-15,20-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1