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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H19N3O5
Molecular Weight 405.4034
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of H2N-GLY-CAMPTOTHECIN

SMILES

CC[C@@]1(OC(=O)CN)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=CC=CC5=C4)C2=O

InChI

InChIKey=JMZZXKLQQWGKQV-QFIPXVFZSA-N
InChI=1S/C22H19N3O5/c1-2-22(30-18(26)9-23)15-8-17-19-13(7-12-5-3-4-6-16(12)24-19)10-25(17)20(27)14(15)11-29-21(22)28/h3-8H,2,9-11,23H2,1H3/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H19N3O5
Molecular Weight 405.4034
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:50:16 GMT 2025
Edited
by admin
on Mon Mar 31 21:50:16 GMT 2025
Record UNII
5X5XT067CM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-606985 FREE BASE
Preferred Name English
H2N-GLY-CAMPTOTHECIN
Common Name English
GLYCINE, (4S)-4-ETHYL-3,4,12,14-TETRAHYDRO-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-4-YL ESTER
Systematic Name English
GLYCINE, 4-ETHYL-3,4,12,14-TETRAHYDRO-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-4-YL ESTER, (S)-
Systematic Name English
Code System Code Type Description
CAS
176669-13-9
Created by admin on Mon Mar 31 21:50:16 GMT 2025 , Edited by admin on Mon Mar 31 21:50:16 GMT 2025
PRIMARY
PUBCHEM
486151
Created by admin on Mon Mar 31 21:50:16 GMT 2025 , Edited by admin on Mon Mar 31 21:50:16 GMT 2025
PRIMARY
FDA UNII
5X5XT067CM
Created by admin on Mon Mar 31 21:50:16 GMT 2025 , Edited by admin on Mon Mar 31 21:50:16 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY