propan-2-yl 3-[4-[(4-cyclopropylpiperazin-1-yl)carbonylamino]phenyl]-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoate

Systemtic Name: propan-2-yl 3-[4-[(4-cyclopropylpiperazin-1-yl)carbonylamino]phenyl]-2-[(4-methylphenyl)sulfonyl-pyrrolidin-2-ylcarbonyl-amino]propanoate Openeye Name: isopropyl 3-[4-[(4-cyclopropylpiperazine-1-carbonyl)amino]phenyl]-2-[p-tolylsulfonyl(pyrrolidine-2-carbonyl)amino]propanoate CAS Name: 3-[4-[[(4-cyclopropyl-1-piperazinyl)-oxomethyl]amino]phenyl]-2-[(4-methylphenyl)sulfonyl-[oxo(2-pyrrolidinyl)methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-[(4-cyclopropylpiperazine-1-carbonyl)amino]phenyl]-2-[(4-methylphenyl)sulfonyl-(pyrrolidine-2-carbonyl)amino]propanoate Traditional Name: 3-[4-[(4-cyclopropylpiperazine-1-carbonyl)amino]phenyl]-2-[prolyl(tosyl)amino]propionic acid isopropyl ester Formula: C32H43N5O6S MolecularWeight: 625.77872

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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)N3CCN(CC3)C4CC4)C(=O)OC(C)C)C(=O)C5CCCN5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=C(C=C2)NC(=O)N3CCN(CC3)C4CC4)C(=O)OC(C)C)C(=O)C5CCCN5

InChI

InChI=1S/C32H43N5O6S/c1-22(2)43-31(39)29(37(30(38)28-5-4-16-33-28)44(41,42)27-14-6-23(3)7-15-27)21-24-8-10-25(11-9-24)34-32(40)36-19-17-35(18-20-36)26-12-13-26/h6-11,14-15,22,26,28-29,33H,4-5,12-13,16-21H2,1-3H3,(H,34,40)