(Q76754237)

English

methyl N-[(1R)-2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

884.3138232560001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₇H₄₈N₈O₆S₂

0 references

canonical SMILES

COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3csc4c(-c5ccc6nc(C7CCCN7C(=O)C(NC(=O)OC)C(C)C)[nH]c6c5)csc34)cc2)[nH]1)c1ccccc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)C4=CSC5=C4SC=C5C6=CC=C(C=C6)C7=CN=C(N7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)NC(=O)OC

0 references

Identifiers

InChI

InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1

0 references

InChIKey

ATOLIHZIXHZSBA-BTSKBWHGSA-N

0 references

CAS Registry Number

1312547-19-5

1 reference

InChIKey

ATOLIHZIXHZSBA-BTSKBWHGSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1312547-19-5

0 references

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

(Q76754237)

methyl N-[(1R)-2-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thieno[3,2-b]thiophen-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)