methyl 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-[4-(piperidin-4-ylcarbonylamino)phenyl]propanoate

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-[4-(piperidin-4-ylcarbonylamino)phenyl]propanoate Openeye Name: methyl 3-[4-(piperidine-4-carbonylamino)phenyl]-2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoate CAS Name: 2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]-3-[4-[[oxo(4-piperidinyl)methyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]-3-[4-(piperidine-4-carbonylamino)phenyl]propanoate Traditional Name: 3-[4-(isonipecotoylamino)phenyl]-2-[prolyl(tosyl)amino]propionic acid methyl ester Formula: C28H36N4O6S MolecularWeight: 556.67364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)NC(=O)C3CCNCC3)C(=O)OC)C(=O)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)NC(=O)C3CCNCC3)C(=O)OC)C(=O)C4CCCN4

InChI

InChI=1S/C28H36N4O6S/c1-19-5-11-23(12-6-19)39(36,37)32(27(34)24-4-3-15-30-24)25(28(35)38-2)18-20-7-9-22(10-8-20)31-26(33)21-13-16-29-17-14-21/h5-12,21,24-25,29-30H,3-4,13-18H2,1-2H3,(H,31,33)