5-[[(1S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-1-prop-2-enylsulfanyl-ethyl]-morpholin-4-ylsulfonyl-amino]-N-butyl-6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanamide

Systemtic Name: 5-[[(1S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-2-oxidanylidene-1-prop-2-enylsulfanyl-ethyl]-morpholin-4-ylsulfonyl-amino]-N-butyl-6-cyclohexyl-4-oxidanyl-2-propan-2-yl-hexanamide Openeye Name: 5-[[(1S)-1-allylsulfanyl-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-oxo-ethyl]-morpholinosulfonyl-amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanamide CAS Name: 5-[[(1S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-2-oxo-1-(prop-2-enylthio)ethyl]-(4-morpholinylsulfonyl)amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide IUPAC Name: 5-[[(1S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-oxo-1-prop-2-enylsulfanylethyl]-morpholin-4-ylsulfonylamino]-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide Traditional Name: 5-[[(1S)-1-(allylthio)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-2-keto-ethyl]-morpholinosulfonyl-amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanamide Formula: C37H61N5O7S2 MolecularWeight: 752.03954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(C(CC1CCCCC1)N(C(C(=O)NC(=O)C(CC2=CC=CC=C2)N)SCC=C)S(=O)(=O)N3CCOCC3)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C37H61N5O7S2/c1-5-7-18-39-34(44)30(27(3)4)26-33(43)32(25-29-16-12-9-13-17-29)42(51(47,48)41-19-21-49-22-20-41)37(50-23-6-2)36(46)40-35(45)31(38)24-28-14-10-8-11-15-28/h6,8,10-11,14-15,27,29-33,37,43H,2,5,7,9,12-13,16-26,38H2,1,3-4H3,(H,39,44)(H,40,45,46)/t30?,31-,32?,33?,37-/m0/s1