(2S,4S,5S)-6-cyclohexyl-4-oxidanyl-5-[[(2S)-2-[[2-(phenylmethyl)-3-pyridin-4-yl-propanoyl]amino]pent-4-enoyl]amino]-2-propan-2-yl-hexanamide

Systemtic Name: (2S,4S,5S)-6-cyclohexyl-4-oxidanyl-5-[[(2S)-2-[[2-(phenylmethyl)-3-pyridin-4-yl-propanoyl]amino]pent-4-enoyl]amino]-2-propan-2-yl-hexanamide Openeye Name: (2S,4S,5S)-5-[[(2S)-2-[[2-benzyl-3-(4-pyridyl)propanoyl]amino]pent-4-enoyl]amino]-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanamide CAS Name: (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-1-oxo-2-[[1-oxo-2-(phenylmethyl)-3-pyridin-4-ylpropyl]amino]pent-4-enyl]amino]-2-propan-2-ylhexanamide IUPAC Name: (2S,4S,5S)-5-[[(2S)-2-[(2-benzyl-3-pyridin-4-ylpropanoyl)amino]pent-4-enoyl]amino]-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide Traditional Name: (2S,4S,5S)-5-[[(2S)-2-[[2-benzyl-3-(4-pyridyl)propanoyl]amino]pent-4-enoyl]amino]-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanamide Formula: C35H50N4O4 MolecularWeight: 590.7959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1CCCCC1)NC(=O)C(CC=C)NC(=O)C(CC2=CC=CC=C2)CC3=CC=NC=C3)O)C(=O)N

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)C(CC2=CC=CC=C2)CC3=CC=NC=C3)O)C(=O)N

InChI

InChI=1S/C35H50N4O4/c1-4-11-30(38-34(42)28(20-25-12-7-5-8-13-25)21-27-16-18-37-19-17-27)35(43)39-31(22-26-14-9-6-10-15-26)32(40)23-29(24(2)3)33(36)41/h4-5,7-8,12-13,16-19,24,26,28-32,40H,1,6,9-11,14-15,20-23H2,2-3H3,(H2,36,41)(H,38,42)(H,39,43)/t28?,29-,30-,31-,32-/m0/s1