2-[[(Z)-2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(Z)-2-benzamido-1-oxo-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]-4-(methylthio)butyric acid Formula: C29H27N5O4S MolecularWeight: 541.62078

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(=CC1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)/C(=C/C1=CN(N=C1C2=CN=CC=C2)C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H27N5O4S/c1-39-16-14-24(29(37)38)31-28(36)25(32-27(35)20-9-4-2-5-10-20)17-22-19-34(23-12-6-3-7-13-23)33-26(22)21-11-8-15-30-18-21/h2-13,15,17-19,24H,14,16H2,1H3,(H,31,36)(H,32,35)(H,37,38)/b25-17-