(2S)-N-[(2S,3R)-2-azanyl-3-methyl-pentanoyl]-1-[(2R)-3-[3,3-bis(pyridazin-3-ylcarbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S,3R)-2-azanyl-3-methyl-pentanoyl]-1-[(2R)-3-[3,3-bis(pyridazin-3-ylcarbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-oxidanylidene-3-phenyl-propan-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2S,3R)-2-amino-3-methyl-pentanoyl]-N-[(1R)-1-benzyl-2-oxo-ethyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-1-[(2R)-3-[3,3-bis[oxo(3-pyridazinyl)methyl]cyclohexyl]-2-(methylamino)-1-oxopropyl]-N-[(2R)-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S,3R)-2-amino-3-methylpentanoyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]-N-[(2R)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(2S,3R)-2-amino-3-methyl-pentanoyl]-N-[(1R)-1-benzyl-2-keto-ethyl]-1-[(2R)-3-[3,3-bis(pyridazine-3-carbonyl)cyclohexyl]-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C40H50N8O6 MolecularWeight: 738.875

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C(CC1=CC=CC=C1)C=O)C(=O)C2CCCN2C(=O)C(CC3CCCC(C3)(C(=O)C4=NN=CC=C4)C(=O)C5=NN=CC=C5)NC)N

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N([C@H](CC1=CC=CC=C1)C=O)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCC(C3)(C(=O)C4=NN=CC=C4)C(=O)C5=NN=CC=C5)NC)N

InChI

InChI=1S/C40H50N8O6/c1-4-26(2)34(41)39(54)48(29(25-49)22-27-12-6-5-7-13-27)38(53)33-17-11-21-47(33)37(52)32(42-3)23-28-14-8-18-40(24-28,35(50)30-15-9-19-43-45-30)36(51)31-16-10-20-44-46-31/h5-7,9-10,12-13,15-16,19-20,25-26,28-29,32-34,42H,4,8,11,14,17-18,21-24,41H2,1-3H3/t26-,28?,29-,32-,33+,34+/m1/s1