U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C64H115N11O14
Molecular Weight 1262.6657
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BT-070

SMILES

CC[C@@]1([H])C(=O)N(C)CC(=O)N(C)[C@@]([H])(CC(C)C)C(=N[C@@]([H])(C(C)C)C(=O)N(C)[C@@]([H])(CC(C)C)C(=N[C@@]([H])(C)C(=N[C@]([H])(C)C(=O)N(C)[C@@]([H])(CC(C)C)C(=O)N(C)[C@@]([H])(CC(C)C)C(=O)N(C)[C@@]([H])(C(C)C)C(=O)N(C)[C@@]([H])([C@@]([H])([C@]([H])(C)CCCCCC(=O)O)O)C(=N1)O)O)O)O

InChI

InChIKey=IHYTVKXOCVXPQF-XZYMMQACSA-N
InChI=1S/C64H115N11O14/c1-24-44-60(85)69(17)34-49(76)70(18)45(30-35(2)3)57(82)68-51(39(10)11)63(88)71(19)46(31-36(4)5)56(81)65-42(15)55(80)66-43(16)59(84)72(20)47(32-37(6)7)61(86)73(21)48(33-38(8)9)62(87)74(22)52(40(12)13)64(89)75(23)53(58(83)67-44)54(79)41(14)28-26-25-27-29-50(77)78/h35-48,51-54,79H,24-34H2,1-23H3,(H,65,81)(H,66,80)(H,67,83)(H,68,82)(H,77,78)/t41-,42+,43-,44+,45+,46+,47+,48+,51+,52+,53+,54-/m1/s1

HIDE SMILES / InChI

Molecular Formula C64H115N11O14
Molecular Weight 1262.6657
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:11:02 UTC 2021
Edited
by admin
on Sat Jun 26 11:11:02 UTC 2021
Record UNII
0J0U795MFZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BT-070
Code English
BT070
Code English
Code System Code Type Description
CAS
2412193-87-2
Created by admin on Sat Jun 26 11:11:03 UTC 2021 , Edited by admin on Sat Jun 26 11:11:03 UTC 2021
PRIMARY
PUBCHEM
146048039
Created by admin on Sat Jun 26 11:11:03 UTC 2021 , Edited by admin on Sat Jun 26 11:11:03 UTC 2021
PRIMARY
FDA UNII
0J0U795MFZ
Created by admin on Sat Jun 26 11:11:03 UTC 2021 , Edited by admin on Sat Jun 26 11:11:03 UTC 2021
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR
TRANSPORTER -> INHIBITOR
TRANSPORTER -> INHIBITOR
TRANSPORTER -> INHIBITOR
PARENT -> DERIVATIVE