(2S)-N-[(3S,5S)-1-[(3R,4R)-4-(4-chlorophenyl)-1-cyclopropyl-pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4-methylcyclohexyl)oxolane-2-carboxamide

Systemtic Name: (2S)-N-[(3S,5S)-1-[(3R,4R)-4-(4-chlorophenyl)-1-cyclopropyl-pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4-methylcyclohexyl)oxolane-2-carboxamide Openeye Name: (2S)-N-[(3S,5S)-1-[(3R,4R)-4-(4-chlorophenyl)-1-cyclopropyl-pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4-methylcyclohexyl)tetrahydrofuran-2-carboxamide CAS Name: (2S)-N-[(3S,5S)-1-[[(3R,4R)-4-(4-chlorophenyl)-1-cyclopropyl-3-pyrrolidinyl]-oxomethyl]-5-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrrolidinyl]-N-(4-methylcyclohexyl)-2-oxolanecarboxamide IUPAC Name: (2S)-N-[(3S,5S)-1-[(3R,4R)-4-(4-chlorophenyl)-1-cyclopropylpyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4-methylcyclohexyl)oxolane-2-carboxamide Traditional Name: (2S)-N-[(3S,5S)-1-[(3R,4R)-4-(4-chlorophenyl)-1-cyclopropyl-pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4-methylcyclohexyl)tetrahydrofuran-2-carboxamide Formula: C36H52ClN5O4 MolecularWeight: 654.28218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C2CC(N(C2)C(=O)C3CN(CC3C4=CC=C(C=C4)Cl)C5CC5)C(=O)N6CCN(CC6)C)C(=O)C7CCCO7

Isomeric SMILES

CC1CCC(CC1)N([C@H]2C[C@H](N(C2)C(=O)[C@H]3CN(C[C@H]3C4=CC=C(C=C4)Cl)C5CC5)C(=O)N6CCN(CC6)C)C(=O)[C@@H]7CCCO7

InChI

InChI=1S/C36H52ClN5O4/c1-24-5-11-28(12-6-24)42(36(45)33-4-3-19-46-33)29-20-32(35(44)39-17-15-38(2)16-18-39)41(21-29)34(43)31-23-40(27-13-14-27)22-30(31)25-7-9-26(37)10-8-25/h7-10,24,27-33H,3-6,11-23H2,1-2H3/t24?,28?,29-,30-,31-,32-,33-/m0/s1