(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-[anilino(oxo)methyl]phenyl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide Formula: C36H52N6O5 MolecularWeight: 648.83528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N(C)C

InChI

InChI=1S/C36H52N6O5/c1-22(2)29(39-34(45)30(23(3)4)40(7)8)35(46)41(9)31(24(5)6)36(47)42-21-15-20-28(42)33(44)38-27-19-14-13-18-26(27)32(43)37-25-16-11-10-12-17-25/h10-14,16-19,22-24,28-31H,15,20-21H2,1-9H3,(H,37,43)(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1