2-[[3-formamido-4-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-piperazin-1-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-formamido-4-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-piperazin-1-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-formamido-4-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-formamido-4-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-1-piperazinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-formamido-4-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperazin-1-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-formamido-4-(1-tosylprolyl)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)N2CCCC2C(=O)N3CCN(CC3NC=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3NC=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

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