S-[(2R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-[[(3S,5S)-1-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-5-phenyl-azepan-3-yl]amino]-1-oxidanylidene-hexan-2-yl] 2-morpholin-4-ylethanethioate

Systemtic Name: S-[(2R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-[[(3S,5S)-1-[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-5-phenyl-azepan-3-yl]amino]-1-oxidanylidene-hexan-2-yl] 2-morpholin-4-ylethanethioate Openeye Name: S-[(1R)-1-[[(3S,5S)-1-[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-oxo-5-phenyl-azepan-3-yl]carbamoyl]-5-(1,3-dioxoisoindolin-2-yl)pentyl] 2-morpholinoethanethioate CAS Name: 2-(4-morpholinyl)ethanethioic acid S-[(2R)-6-(1,3-dioxo-2-isoindolyl)-1-[[(3S,5S)-1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-oxo-5-phenyl-3-azepanyl]amino]-1-oxohexan-2-yl] ester IUPAC Name: S-[(2R)-6-(1,3-dioxoisoindol-2-yl)-1-[[(3S,5S)-1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-oxo-5-phenylazepan-3-yl]amino]-1-oxohexan-2-yl] 2-morpholin-4-ylethanethioate Traditional Name: 2-morpholinoethanethioic acid S-[(1R)-1-[[(3S,5S)-1-[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]-2-keto-5-phenyl-azepan-3-yl]carbamoyl]-5-phthalimido-pentyl] ester Formula: C42H49N5O7S MolecularWeight: 767.93276

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)N2CCC(CC(C2=O)NC(=O)C(CCCCN3C(=O)C4=CC=CC=C4C3=O)SC(=O)CN5CCOCC5)C6=CC=CC=C6

Isomeric SMILES

CNC(=O)[C@H](CC1=CC=CC=C1)N2CC[C@@H](C[C@@H](C2=O)NC(=O)[C@@H](CCCCN3C(=O)C4=CC=CC=C4C3=O)SC(=O)CN5CCOCC5)C6=CC=CC=C6

InChI

InChI=1S/C42H49N5O7S/c1-43-38(49)35(26-29-12-4-2-5-13-29)46-21-19-31(30-14-6-3-7-15-30)27-34(42(46)53)44-39(50)36(55-37(48)28-45-22-24-54-25-23-45)18-10-11-20-47-40(51)32-16-8-9-17-33(32)41(47)52/h2-9,12-17,31,34-36H,10-11,18-28H2,1H3,(H,43,49)(H,44,50)/t31-,34-,35-,36+/m0/s1