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Substance Name: l-Cysteine, S-((acetylamino)methyl)-N-(N-(N-(N-(N-(N2-(N-(N-(N-(N2-((1,1-dimethylethoxy)carbonyl)-l-asparaginyl)-l-phenylalanyl)-l-phenylalanyl)-l-tryptophyl)-N6-((2-(methylsulfonyl)ethoxy)carbonyl)-l-lysyl)-l-threonyl)-l-phenylalanyl)-l-threonyl)-l-seryl)-, 2-(((4-(phenylazo)phenyl)methyl)sulfonyl)ethyl ester
RN: 76408-83-8
InChIKey: XCWNLVWCSXEVGL-OGMFGODESA-N

Molecular Formula

  • C89-H114-N16-O24-S3

Molecular Weight

  • 1888.1656
 
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Names and Synonyms

Synonym

  • EINECS 278-453-0

Systematic Name

  • l-Cysteine, S-((acetylamino)methyl)-N-(N-(N-(N-(N-(N2-(N-(N-(N-(N2-((1,1-dimethylethoxy)carbonyl)-l-asparaginyl)-l-phenylalanyl)-l-phenylalanyl)-l-tryptophyl)-N6-((2-(methylsulfonyl)ethoxy)carbonyl)-l-lysyl)-l-threonyl)-l-phenylalanyl)-l-threonyl)-l-seryl)-, 2-(((4-(phenylazo)phenyl)methyl)sulfonyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 76408-83-8

System Generated Number

  • 0076408838

Structure Descriptors

InChI

1S/C89H114N16O24S3/c1-54(107)75(84(118)98-69(46-59-28-16-10-17-29-59)82(116)103-76(55(2)108)85(119)99-72(50-106)83(117)100-73(51-130-53-93-56(3)109)86(120)127-41-43-132(125,126)52-60-35-37-63(38-36-60)105-104-62-30-18-11-19-31-62)102-77(111)66(34-22-23-39-91-87(121)128-40-42-131(7,123)124)94-80(114)70(47-61-49-92-65-33-21-20-32-64(61)65)97-79(113)68(45-58-26-14-9-15-27-58)95-78(112)67(44-57-24-12-8-13-25-57)96-81(115)71(48-74(90)110)101-88(122)129-89(4,5)6/h8-21,24-33,35-38,49,54-55,66-73,75-76,92,106-108H,22-23,34,39-48,50-53H2,1-7H3,(H2,90,110)(H,91,121)(H,93,109)(H,94,114)(H,95,112)(H,96,115)(H,97,113)(H,98,118)(H,99,119)(H,100,117)(H,101,122)(H,102,111)(H,103,116)/b105-104+/t54-,55-,66+,67+,68+,69+,70+,71+,72+,73+,75+,76+/m1/s1

InChIKey

XCWNLVWCSXEVGL-OGMFGODESA-N

Smiles

C[C@H]([C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CSCNC(=O)C)C(=O)OCCS(=O)(=O)Cc2ccc(cc2)/N=N/c3ccccc3)NC(=O)[C@H](CCCCNC(=O)OCCS(=O)(=O)C)NC(=O)[C@H](Cc4c[nH]c5c4cccc5)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](CC(=O)N)NC(=O)OC(C)(C)C)O