(3S,4S)-5-cyclohexyl-N-(2-morpholin-4-ylethyl)-4-[[2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]-2-prop-2-enylsulfanyl-ethanoyl]amino]-3-oxidanyl-pentanamide

Systemtic Name: (3S,4S)-5-cyclohexyl-N-(2-morpholin-4-ylethyl)-4-[[2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]-2-prop-2-enylsulfanyl-ethanoyl]amino]-3-oxidanyl-pentanamide Openeye Name: (3S,4S)-4-[[2-allylsulfanyl-2-[[(2S)-2-(morpholinosulfonylamino)-3-phenyl-propanoyl]amino]acetyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-morpholinoethyl)pentanamide CAS Name: (3S,4S)-5-cyclohexyl-3-hydroxy-N-[2-(4-morpholinyl)ethyl]-4-[[2-[[(2S)-2-(4-morpholinylsulfonylamino)-1-oxo-3-phenylpropyl]amino]-1-oxo-2-(prop-2-enylthio)ethyl]amino]pentanamide IUPAC Name: (3S,4S)-5-cyclohexyl-3-hydroxy-N-(2-morpholin-4-ylethyl)-4-[[2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-2-prop-2-enylsulfanylacetyl]amino]pentanamide Traditional Name: (3S,4S)-4-[[2-(allylthio)-2-[[(2S)-2-(morpholinosulfonylamino)-3-phenyl-propanoyl]amino]acetyl]amino]-5-cyclohexyl-3-hydroxy-N-(2-morpholinoethyl)valeramide Formula: C35H56N6O8S2 MolecularWeight: 752.98454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(C(=O)NC(CC1CCCCC1)C(CC(=O)NCCN2CCOCC2)O)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4

Isomeric SMILES

C=CCSC(C(=O)N[C@@H](CC1CCCCC1)[C@H](CC(=O)NCCN2CCOCC2)O)NC(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4

InChI

InChI=1S/C35H56N6O8S2/c1-2-23-50-35(38-33(44)30(25-28-11-7-4-8-12-28)39-51(46,47)41-17-21-49-22-18-41)34(45)37-29(24-27-9-5-3-6-10-27)31(42)26-32(43)36-13-14-40-15-19-48-20-16-40/h2,4,7-8,11-12,27,29-31,35,39,42H,1,3,5-6,9-10,13-26H2,(H,36,43)(H,37,45)(H,38,44)/t29-,30-,31-,35?/m0/s1