3-[[3-[(4-tert-butylphenyl)carbonylamino]-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[3-[(4-tert-butylphenyl)carbonylamino]-4-(4-methoxycarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-(4-methoxycarbonyl-1-piperazinyl)phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(4-tert-butylbenzoyl)amino]-4-(4-carbomethoxypiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H37N5O6 MolecularWeight: 587.66608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)OC

InChI

InChI=1S/C32H37N5O6/c1-32(2,3)24-10-7-21(8-11-24)29(40)35-26-18-22(9-12-27(26)36-14-16-37(17-15-36)31(42)43-4)30(41)34-25(19-28(38)39)23-6-5-13-33-20-23/h5-13,18,20,25H,14-17,19H2,1-4H3,(H,34,41)(H,35,40)(H,38,39)