2-azanyl-4-(cyclohexylmethyl)-5-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-4-(cyclohexylmethyl)-5-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-3-oxidanylidene-pentanoic acid Openeye Name: 2-amino-4-(cyclohexylmethyl)-5-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]-3-oxo-pentanoic acid CAS Name: 2-amino-4-(cyclohexylmethyl)-5-[4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-3-oxopentanoic acid IUPAC Name: 2-amino-4-(cyclohexylmethyl)-5-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-oxopentanoic acid Traditional Name: 2-amino-4-(cyclohexylmethyl)-5-[4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]-3-keto-valeric acid Formula: C25H38N2O4 MolecularWeight: 430.58022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3CCCCC3)C(=O)C(C(=O)O)N

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3CCCCC3)C(=O)C(C(=O)O)N

InChI

InChI=1S/C25H38N2O4/c1-17-15-27(12-11-25(17,2)20-9-6-10-21(28)14-20)16-19(23(29)22(26)24(30)31)13-18-7-4-3-5-8-18/h6,9-10,14,17-19,22,28H,3-5,7-8,11-13,15-16,26H2,1-2H3,(H,30,31)