faldaprevir (Q15408404)

Faldaprevir (English)

18 November 2016

chemical formula

C₄₀H₄₉BrN₆O₉S

1 reference

Faldaprevir (English)

18 November 2016

canonical SMILES

CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O

1 reference

Faldaprevir (English)

18 November 2016

isomeric SMILES

CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O

1 reference

Faldaprevir (English)

InChI=1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1

18 November 2016

Identifiers

InChI

1 reference

Faldaprevir (English)

18 November 2016

1 reference

Global Substance Registration System

Faldaprevir (English)

18 November 2016

2 references

UNII

958X4J301A

faldaprevir (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=801283-95-4

8 April 2021

1 reference

Faldaprevir (English)

18 November 2016

2 references

Faldaprevir (English)

matched by identifier from

18 November 2016

1 reference

DSSTOX compound identifier

FALDAPREVIR (English)

18 November 2016

1 reference

0 references

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1 reference

matched by identifier from

Global Substance Registration System

UNII

958X4J301A

2 references

stated in

UNII

958X4J301A

faldaprevir (English)

matched by identifier from

18 November 2016

PatientsLikeMe treatment ID

0 references

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Microsoft Academic ID

0 references

1 reference

3P8N (English)