(2S,4S,5S)-6-cyclohexyl-N-(2-dimethylaminoethyl)-4-oxidanyl-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propanoyl]amino]hexanamide

Systemtic Name: (2S,4S,5S)-6-cyclohexyl-N-(2-dimethylaminoethyl)-4-oxidanyl-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propanoyl]amino]hexanamide Openeye Name: (2S,4S,5S)-6-cyclohexyl-N-(2-dimethylaminoethyl)-4-hydroxy-2-isopropyl-5-[[2-[8-propyl-6-(3-pyridyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(3-pyridyl)propanoyl]amino]hexanamide CAS Name: (2S,4S,5S)-6-cyclohexyl-N-(2-dimethylaminoethyl)-4-hydroxy-5-[[1-oxo-2-[8-propyl-6-(3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(3-pyridinyl)propyl]amino]-2-propan-2-ylhexanamide IUPAC Name: (2S,4S,5S)-6-cyclohexyl-N-(2-dimethylaminoethyl)-4-hydroxy-2-propan-2-yl-5-[[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-ylpropanoyl]amino]hexanamide Traditional Name: (2S,4S,5S)-6-cyclohexyl-N-(2-dimethylaminoethyl)-4-hydroxy-2-isopropyl-5-[[2-[8-propyl-6-(3-pyridyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-(3-pyridyl)propanoyl]amino]hexanamide Formula: C40H57N9O3 MolecularWeight: 711.93908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CN2C1=NN=C2C(CC3=CN=CC=C3)C(=O)NC(CC4CCCCC4)C(CC(C(C)C)C(=O)NCCN(C)C)O)C5=CN=CC=C5

Isomeric SMILES

CCCC1=NC(=CN2C1=NN=C2C(CC3=CN=CC=C3)C(=O)N[C@@H](CC4CCCCC4)[C@H](C[C@@H](C(C)C)C(=O)NCCN(C)C)O)C5=CN=CC=C5

InChI

InChI=1S/C40H57N9O3/c1-6-12-33-38-47-46-37(49(38)26-35(44-33)30-16-11-18-42-25-30)32(21-29-15-10-17-41-24-29)40(52)45-34(22-28-13-8-7-9-14-28)36(50)23-31(27(2)3)39(51)43-19-20-48(4)5/h10-11,15-18,24-28,31-32,34,36,50H,6-9,12-14,19-23H2,1-5H3,(H,43,51)(H,45,52)/t31-,32?,34-,36-/m0/s1