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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49N3O3/c30-19-12-7-5-3-1-2-4-6-8-13-20-31-29(35)27(22-25-17-14-18-26(33)21-25)32-28(34)23-24-15-10-9-11-16-24/h14,17-18,21,24,27,33H,1-13,15-16,19-20,22-23,30H2,(H,31,35)(H,32,34)/t27-/m0/s1