(Q21098899)

SCHEMBL12567196 (English)

21 September 2016

chemical formula

C₄₇H₄₈N₈O₆S₂

1 reference

SCHEMBL12567196 (English)

21 September 2016

canonical SMILES

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(S4)C=C(S5)C6=CC7=C(C=C6)N=C(N7)C8CCCN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)NC(=O)OC

1 reference

SCHEMBL12567196 (English)

21 September 2016

isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(S4)C=C(S5)C6=CC7=C(C=C6)N=C(N7)[C@@H]8CCCN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)NC(=O)OC

1 reference

SCHEMBL12567196 (English)

InChI=1S/C47H48N8O6S2/c1-26(2)40(52-46(58)60-3)44(56)54-20-8-12-34(54)42-48-25-33(51-42)27-14-16-28(17-15-27)36-23-38-39(62-36)24-37(63-38)30-18-19-31-32(22-30)50-43(49-31)35-13-9-21-55(35)45(57)41(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,34-35,40-41H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t34-,35-,40-,41+/m0/s1

21 September 2016

Commons category

Samatasvir

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Identifiers

InChI

1 reference

SCHEMBL12567196 (English)

IESVENFHVYJXLX-UNQNYZJASA-N

21 September 2016

InChIKey

1 reference

SCHEMBL12567196 (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

1312547-19-5

1 reference

0 references

1 reference