3-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid

Systemtic Name: 3-[[3,3-dimethyl-1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid Openeye Name: 3-[[2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid CAS Name: 3-[[[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]amino]-oxomethyl]-6-(4-phenylphenyl)hexanoic acid IUPAC Name: 3-[[3,3-dimethyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid Traditional Name: 3-[[2,2-dimethyl-1-(4-pyridylcarbamoyl)propyl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=CC=NC=C1)NC(=O)C(CCCC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(C)(C)C(C(=O)NC1=CC=NC=C1)NC(=O)C(CCCC2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C30H35N3O4/c1-30(2,3)27(29(37)32-25-16-18-31-19-17-25)33-28(36)24(20-26(34)35)11-7-8-21-12-14-23(15-13-21)22-9-5-4-6-10-22/h4-6,9-10,12-19,24,27H,7-8,11,20H2,1-3H3,(H,33,36)(H,34,35)(H,31,32,37)