(2S,4S)-N-tert-butyl-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-1-(2-methylpropyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-N-tert-butyl-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-1-(2-methylpropyl)pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-N-tert-butyl-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-1-isobutyl-pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-tert-butyl-4-[[(2R)-3-(4-chlorophenyl)-1-oxo-2-[[(2R)-2-pyrrolidinyl]methylamino]propyl]-methylamino]-1-(2-methylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-N-tert-butyl-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methylamino]-1-(2-methylpropyl)pyrrolidine-2-carboxamide Traditional Name: (2S,4S)-N-tert-butyl-4-[[(2R)-3-(4-chlorophenyl)-2-[[(2R)-pyrrolidin-2-yl]methylamino]propanoyl]-methyl-amino]-1-isobutyl-pyrrolidine-2-carboxamide Formula: C28H46ClN5O2 MolecularWeight: 520.15014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CC1C(=O)NC(C)(C)C)N(C)C(=O)C(CC2=CC=C(C=C2)Cl)NCC3CCCN3

Isomeric SMILES

CC(C)CN1C[C@H](C[C@H]1C(=O)NC(C)(C)C)N(C)C(=O)[C@@H](CC2=CC=C(C=C2)Cl)NC[C@H]3CCCN3

InChI

InChI=1S/C28H46ClN5O2/c1-19(2)17-34-18-23(15-25(34)26(35)32-28(3,4)5)33(6)27(36)24(31-16-22-8-7-13-30-22)14-20-9-11-21(29)12-10-20/h9-12,19,22-25,30-31H,7-8,13-18H2,1-6H3,(H,32,35)/t22-,23+,24-,25+/m1/s1