Zoldonrasib

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H88F3N11O7
Molecular Weight	1168.4375
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0
Stereo Comments	Helix, M

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H](C)C1=NC=C(C=C1C2=C3CC(C)(C)COC(=O)[C@@H]4CCCN(N4)C(=O)[C@H](C[C@H]5CN(CCO5)C6=CC3=C(C=C6)N2CC(F)(F)F)NC(=O)[C@H](C7CCCC7)N8CC[C@]9(CCN(C9)C(=O)[C@H]%10[C@@H](C%11CC%11)N%10C)C8)N%12CCN(CC%12)C%13CC%13

InChI

InChIKey=VKNNQJWNUPSOEK-VCAAAJMFSA-N

InChI=1S/C63H88F3N11O7/c1-39(82-5)52-47(30-44(33-67-52)72-25-23-71(24-26-72)42-14-15-42)55-48-32-61(2,3)38-84-60(81)49-11-8-20-77(69-49)58(79)50(31-45-34-73(27-28-83-45)43-16-17-51(46(48)29-43)76(55)37-63(64,65)66)68-57(78)54(40-9-6-7-10-40)74-21-18-62(35-74)19-22-75(36-62)59(80)56-53(70(56)4)41-12-13-41/h16-17,29-30,33,39-42,45,49-50,53-54,56,69H,6-15,18-28,31-32,34-38H2,1-5H3,(H,68,78)/t39-,45-,49-,50-,53+,54-,56+,62-,70?/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S)-2-cyclopentyl-2-{(5S)-7-[(2R,3R)-3-cyclopropyl-1-methylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(12M,22S,4S,63S)-12-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-10,10-dimethyl-5,7-dioxo-11-(2,2,2-trifluoroethy

Preferred Name

English

Zoldonrasib

Official Name

English

zoldonrasib [INN]

Common Name

English

Code System Code Type Description

CAS

2922732-54-3