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

Systemtic Name: ethyl 2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]-3-[4-(piperidin-4-ylcarbonylamino)phenyl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C29H38N4O6S MolecularWeight: 570.70022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2CCNCC2)N(C(=O)C3CCCN3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2CCNCC2)N(C(=O)C3CCCN3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H38N4O6S/c1-3-39-29(36)26(19-21-8-10-23(11-9-21)32-27(34)22-14-17-30-18-15-22)33(28(35)25-5-4-16-31-25)40(37,38)24-12-6-20(2)7-13-24/h6-13,22,25-26,30-31H,3-5,14-19H2,1-2H3,(H,32,34)