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Substance Name: EINECS 278-978-5
RN: 78731-97-2
InChIKey: OLIUXDKSIIXOIR-PJWCEQBBSA-N

Molecular Formula

  • C76-H99-N13-O21-S3

Molecular Weight

  • 1626.8861
 
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Names and Synonyms

Results Name

  • EINECS 278-978-5

Synonym

  • EINECS 278-978-5

Systematic Name

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

  • 78731-97-2

System Generated Number

  • 0078731972

Structure Descriptors

InChI

1S/C76H99N13O21S3/c1-47(91)64(86-66(94)58(29-19-20-34-77-74(102)109-35-37-112(7,104)105)80-68(96)61(41-53-42-78-57-28-18-17-27-56(53)57)81-67(95)60(40-51-23-13-9-14-24-51)85-75(103)110-76(4,5)6)71(99)82-59(39-50-21-11-8-12-22-50)69(97)87-65(48(2)92)72(100)83-62(43-90)70(98)84-63(44-111-46-79-49(3)93)73(101)108-36-38-113(106,107)45-52-30-32-55(33-31-52)89-88-54-25-15-10-16-26-54/h8-18,21-28,30-33,42,47-48,58-65,78,90-92H,19-20,29,34-41,43-46H2,1-7H3,(H,77,102)(H,79,93)(H,80,96)(H,81,95)(H,82,99)(H,83,100)(H,84,98)(H,85,103)(H,86,94)(H,87,97)/b89-88-/t47-,48-,58+,59+,60+,61+,62+,63+,64+,65+/m1/s1

InChIKey

OLIUXDKSIIXOIR-PJWCEQBBSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(=O)OCCS(=O)(=O)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc4ccccc4)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)Cc5ccc(cc5)N=Nc6ccccc6