(2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-1-prop-2-enylsulfanyl-ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide

Systemtic Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]amino]-2-oxidanylidene-1-prop-2-enylsulfanyl-ethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenyl-propanamide Openeye Name: (2S)-N-[1-allylsulfanyl-2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-oxo-ethyl]-2-(morpholinosulfonylamino)-3-phenyl-propanamide CAS Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxo-1-(prop-2-enylthio)ethyl]-2-(4-morpholinylsulfonylamino)-3-phenylpropanamide IUPAC Name: (2S)-N-[2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-2-oxo-1-prop-2-enylsulfanylethyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide Traditional Name: (2S)-N-[1-(allylthio)-2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]amino]-2-keto-ethyl]-2-(morpholinosulfonylamino)-3-phenyl-propionamide Formula: C32H52N4O7S2 MolecularWeight: 668.90788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)SCC=C)O)O

Isomeric SMILES

CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)C(NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)SCC=C)O)O

InChI

InChI=1S/C32H52N4O7S2/c1-4-19-44-32(31(40)33-26(21-24-11-7-5-8-12-24)29(38)28(37)20-23(2)3)34-30(39)27(22-25-13-9-6-10-14-25)35-45(41,42)36-15-17-43-18-16-36/h4,6,9-10,13-14,23-24,26-29,32,35,37-38H,1,5,7-8,11-12,15-22H2,2-3H3,(H,33,40)(H,34,39)/t26-,27-,28-,29+,32?/m0/s1