2-azanyl-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-2-[(3-propan-2-yloxyphenyl)methyl]octanoic acid

Systemtic Name: 2-azanyl-4-[5-methyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-yl]-3-oxidanylidene-2-[(3-propan-2-yloxyphenyl)methyl]octanoic acid Openeye Name: 2-amino-4-(3-benzyl-5-methyl-2-oxo-1-pyridyl)-2-[(3-isopropoxyphenyl)methyl]-3-oxo-octanoic acid CAS Name: 2-amino-4-[5-methyl-2-oxo-3-(phenylmethyl)-1-pyridinyl]-3-oxo-2-[(3-propan-2-yloxyphenyl)methyl]octanoic acid IUPAC Name: 2-amino-4-(3-benzyl-5-methyl-2-oxopyridin-1-yl)-3-oxo-2-[(3-propan-2-yloxyphenyl)methyl]octanoic acid Traditional Name: 2-amino-4-(3-benzyl-2-keto-5-methyl-1-pyridyl)-2-(3-isopropoxybenzyl)-3-keto-caprylic acid Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(CC1=CC(=CC=C1)OC(C)C)(C(=O)O)N)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCC(C(=O)C(CC1=CC(=CC=C1)OC(C)C)(C(=O)O)N)N2C=C(C=C(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C31H38N2O5/c1-5-6-15-27(33-20-22(4)16-25(29(33)35)17-23-11-8-7-9-12-23)28(34)31(32,30(36)37)19-24-13-10-14-26(18-24)38-21(2)3/h7-14,16,18,20-21,27H,5-6,15,17,19,32H2,1-4H3,(H,36,37)