3-[[3-(3,3-dimethylbutanoylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-(3,3-dimethylbutanoylamino)-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(3,3-dimethylbutanoylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[(3,3-dimethyl-1-oxobutyl)amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-(3,3-dimethylbutanoylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-(3,3-dimethylbutanoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C27H35N5O6 MolecularWeight: 525.5967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCN(CC3)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CN=CC=C2)N3CCN(CC3)C(=O)OC

InChI

InChI=1S/C27H35N5O6/c1-27(2,3)16-23(33)29-21-14-18(7-8-22(21)31-10-12-32(13-11-31)26(37)38-4)25(36)30-20(15-24(34)35)19-6-5-9-28-17-19/h5-9,14,17,20H,10-13,15-16H2,1-4H3,(H,29,33)(H,30,36)(H,34,35)