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Substance Name: EINECS 278-448-3
RN: 76408-69-0
InChIKey: DRJOFHYTZQGMQV-IGMRWCCGSA-N

Molecular Formula

  • C56-H80-N10-O19-S3

Molecular Weight

  • 1293.497
 
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Names and Synonyms

Results Name

  • EINECS 278-448-3

Synonym

  • EINECS 278-448-3

Systematic Name

  • l-Cysteine, S-((acetylamino)methyl)-N-(N-(N-(N-(N-(N2-((1,1-dimethylethoxy)carbonyl)-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

  • 76408-69-0

System Generated Number

  • 0076408690

Structure Descriptors

InChI

1S/C56H80N10O19S3/c1-35(68)46(63-48(71)42(62-55(78)85-56(4,5)6)20-14-15-25-57-54(77)84-26-28-87(7,79)80)51(74)59-43(30-38-16-10-8-11-17-38)49(72)64-47(36(2)69)52(75)60-44(31-67)50(73)61-45(32-86-34-58-37(3)70)53(76)83-27-29-88(81,82)33-39-21-23-41(24-22-39)66-65-40-18-12-9-13-19-40/h8-13,16-19,21-24,35-36,42-47,67-69H,14-15,20,25-34H2,1-7H3,(H,57,77)(H,58,70)(H,59,74)(H,60,75)(H,61,73)(H,62,78)(H,63,71)(H,64,72)/b66-65+/t35-,36-,42+,43+,44+,45+,46+,47+/m1/s1

InChIKey

DRJOFHYTZQGMQV-IGMRWCCGSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(=O)OCCS(=O)(=O)C)NC(=O)OC(C)(C)C)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=Nc3ccccc3