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

Systemtic Name: (2S)-N-[(3R,5R)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidin-3-yl]carbonyl-5-(4-methylpiperazin-1-yl)carbonyl-pyrrolidin-3-yl]-N-(4-methylcyclohexyl)oxolane-2-carboxamide Openeye Name: (2S)-N-[(3R,5R)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4-methylcyclohexyl)tetrahydrofuran-2-carboxamide CAS Name: (2S)-N-[(3R,5R)-1-[[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)-3-pyrrolidinyl]-oxomethyl]-5-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pyrrolidinyl]-N-(4-methylcyclohexyl)-2-oxolanecarboxamide IUPAC Name: (2S)-N-[(3R,5R)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4-methylcyclohexyl)oxolane-2-carboxamide Traditional Name: (2S)-N-[(3R,5R)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]-N-(4-methylcyclohexyl)tetrahydrofuran-2-carboxamide Formula: C37H56ClN5O4 MolecularWeight: 670.32464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C2CC(N(C2)C(=O)C3CN(CC3C4=CC=C(C=C4)Cl)C(C)(C)C)C(=O)N5CCN(CC5)C)C(=O)C6CCCO6

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)C(C)(C)C)C(=O)N5CCN(CC5)C)C(=O)[C@@H]6CCCO6

InChI

InChI=1S/C37H56ClN5O4/c1-25-8-14-28(15-9-25)43(36(46)33-7-6-20-47-33)29-21-32(35(45)40-18-16-39(5)17-19-40)42(22-29)34(44)31-24-41(37(2,3)4)23-30(31)26-10-12-27(38)13-11-26/h10-13,25,28-33H,6-9,14-24H2,1-5H3/t25?,28?,29-,30+,31-,32-,33+/m1/s1