(phenylmethyl) N-[(2R)-1-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-3-[[(2R)-3-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxidanylidene-propan-2-yl]carbamate dihydrochloride

Systemtic Name: (phenylmethyl) N-[(2R)-1-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-3-[[(2R)-3-[[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenyl]amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxidanylidene-propan-2-yl]carbamate dihydrochloride Openeye Name: benzyl N-[(1R)-1-[[[(2R)-2-(benzyloxycarbonylamino)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-propyl]disulfanyl]methyl]-2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxo-ethyl]carbamate dihydrochloride CAS Name: N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester dihydrochloride IUPAC Name: benzyl N-[(2R)-1-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-[[(2R)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-1-oxopropan-2-yl]carbamate dihydrochloride Traditional Name: N-[(1R)-1-[[[(2R)-2-(benzyloxycarbonylamino)-3-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-3-keto-propyl]disulfanyl]methyl]-2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]anilino]-2-keto-ethyl]carbamic acid benzyl ester dihydrochloride Formula: C50H62Br4Cl2N6O6S2 MolecularWeight: 1297.71588

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC(=C1NC(=O)C(CSSCC(C(=O)NC2=C(C=C(C=C2CN(C)C3CCCCC3)Br)Br)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)Br)Br)C6CCCCC6.Cl.Cl

Isomeric SMILES

CN(CC1=CC(=CC(=C1NC(=O)[C@H](CSSC[C@@H](C(=O)NC2=C(C=C(C=C2CN(C)C3CCCCC3)Br)Br)NC(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)Br)Br)C6CCCCC6.Cl.Cl

InChI

InChI=1S/C50H60Br4N6O6S2.2ClH/c1-59(39-19-11-5-12-20-39)27-35-23-37(51)25-41(53)45(35)57-47(61)43(55-49(63)65-29-33-15-7-3-8-16-33)31-67-68-32-44(56-50(64)66-30-34-17-9-4-10-18-34)48(62)58-46-36(24-38(52)26-42(46)54)28-60(2)40-21-13-6-14-22-40;;/h3-4,7-10,15-18,23-26,39-40,43-44H,5-6,11-14,19-22,27-32H2,1-2H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62);2*1H/t43-,44-;;/m0../s1