methyl 6,6-dimethoxy-2-[[4-[[4-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-[(1,6,6-trimethoxy-1-oxidanylidene-hexan-2-yl)amino]butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoate

Systemtic Name: methyl 6,6-dimethoxy-2-[[4-[[4-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-[(1,6,6-trimethoxy-1-oxidanylidene-hexan-2-yl)amino]butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-4-[[3-(benzyloxycarbonylamino)-4-[(5,5-dimethoxy-1-methoxycarbonyl-pentyl)amino]-4-oxo-butyl]disulfanyl]butanoyl]amino]-6,6-dimethoxy-hexanoate CAS Name: 6,6-dimethoxy-2-[[1-oxo-4-[[4-oxo-3-(phenylmethoxycarbonylamino)-4-[(1,6,6-trimethoxy-1-oxohexan-2-yl)amino]butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6,6-dimethoxy-2-[[4-[[4-oxo-3-(phenylmethoxycarbonylamino)-4-[(1,6,6-trimethoxy-1-oxohexan-2-yl)amino]butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-[[3-(benzyloxycarbonylamino)-4-[(1-carbomethoxy-5,5-dimethoxy-pentyl)amino]-4-keto-butyl]disulfanyl]butanoyl]amino]-6,6-dimethoxy-hexanoic acid methyl ester Formula: C42H62N4O14S2 MolecularWeight: 911.09008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CCCC(C(=O)OC)NC(=O)C(CCSSCCC(C(=O)NC(CCCC(OC)OC)C(=O)OC)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

COC(CCCC(C(=O)OC)NC(=O)C(CCSSCCC(C(=O)NC(CCCC(OC)OC)C(=O)OC)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C42H62N4O14S2/c1-53-35(54-2)21-13-19-33(39(49)57-5)43-37(47)31(45-41(51)59-27-29-15-9-7-10-16-29)23-25-61-62-26-24-32(46-42(52)60-28-30-17-11-8-12-18-30)38(48)44-34(40(50)58-6)20-14-22-36(55-3)56-4/h7-12,15-18,31-36H,13-14,19-28H2,1-6H3,(H,43,47)(H,44,48)(H,45,51)(H,46,52)