2-[[3-formamido-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylcarbonyl-piperazin-1-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-formamido-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylcarbonyl-piperazin-1-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-formamido-3-(p-tolylsulfonyl)-4-(pyrrolidine-2-carbonyl)piperazin-1-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-formamido-3-(4-methylphenyl)sulfonyl-4-[oxo(2-pyrrolidinyl)methyl]-1-piperazinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-formamido-3-(4-methylphenyl)sulfonyl-4-(pyrrolidine-2-carbonyl)piperazin-1-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-formamido-4-prolyl-3-tosyl-piperazino)amino]-3-phenyl-propionic acid Formula: C26H33N5O6S MolecularWeight: 543.63512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CN(CCN2C(=O)C3CCCN3)NC(CC4=CC=CC=C4)C(=O)O)NC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CN(CCN2C(=O)C3CCCN3)NC(CC4=CC=CC=C4)C(=O)O)NC=O

InChI

InChI=1S/C26H33N5O6S/c1-19-9-11-21(12-10-19)38(36,37)26(28-18-32)17-30(14-15-31(26)24(33)22-8-5-13-27-22)29-23(25(34)35)16-20-6-3-2-4-7-20/h2-4,6-7,9-12,18,22-23,27,29H,5,8,13-17H2,1H3,(H,28,32)(H,34,35)