(2R,3R,4R,5R)-2,5-bis[[2-[(3-chlorophenyl)carbamoyl]phenyl]methoxy]-N,N'-bis[(2S)-3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]-3,4-bis(oxidanyl)hexanediamide

Systemtic Name: (2R,3R,4R,5R)-2,5-bis[[2-[(3-chlorophenyl)carbamoyl]phenyl]methoxy]-N,N'-bis[(2S)-3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]-3,4-bis(oxidanyl)hexanediamide Openeye Name: (2R,3R,4R,5R)-2,5-bis[[2-[(3-chlorophenyl)carbamoyl]phenyl]methoxy]-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide CAS Name: (2R,3R,4R,5R)-2,5-bis[[2-[(3-chloroanilino)-oxomethyl]phenyl]methoxy]-3,4-dihydroxy-N,N'-bis[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanediamide IUPAC Name: (2R,3R,4R,5R)-2,5-bis[[2-[(3-chlorophenyl)carbamoyl]phenyl]methoxy]-3,4-dihydroxy-N,N'-bis[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanediamide Traditional Name: (2R,3R,4R,5R)-2,5-bis[[2-[(3-chlorophenyl)carbamoyl]benzyl]oxy]-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]adipamide Formula: C46H54Cl2N6O10 MolecularWeight: 921.86116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=O)NC)OCC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)Cl)O)O)OCC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)Cl)O)O)OCC3=CC=CC=C3C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C46H54Cl2N6O10/c1-25(2)35(43(59)49-5)53-45(61)39(63-23-27-13-7-9-19-33(27)41(57)51-31-17-11-15-29(47)21-31)37(55)38(56)40(46(62)54-36(26(3)4)44(60)50-6)64-24-28-14-8-10-20-34(28)42(58)52-32-18-12-16-30(48)22-32/h7-22,25-26,35-40,55-56H,23-24H2,1-6H3,(H,49,59)(H,50,60)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t35-,36-,37+,38+,39+,40+/m0/s1