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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N4O5S
Molecular Weight 420.483
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-CYSTEINE, N-ACETYL-S-(((2R)-7-AMINO-2,3,5,8-TETRAHYDRO-6-METHYL-2-(METHYLAMINO)-5,8-DIOXO-1H-PYRROLO(1,2-A)INDOL-9-YL)METHYL)-

SMILES

CN[C@H]1CN2C(C1)=C(CSC[C@H](NC(C)=O)C(O)=O)C3=C2C(=O)C(C)=C(N)C3=O

InChI

InChIKey=CKSGROVGBBGRLY-PWSUYJOCSA-N
InChI=1S/C19H24N4O5S/c1-8-15(20)18(26)14-11(6-29-7-12(19(27)28)22-9(2)24)13-4-10(21-3)5-23(13)16(14)17(8)25/h10,12,21H,4-7,20H2,1-3H3,(H,22,24)(H,27,28)/t10-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24N4O5S
Molecular Weight 420.483
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:11:51 GMT 2023
Edited
by admin
on Sat Dec 16 16:11:51 GMT 2023
Record UNII
H6O58DRA46
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-CYSTEINE, N-ACETYL-S-(((2R)-7-AMINO-2,3,5,8-TETRAHYDRO-6-METHYL-2-(METHYLAMINO)-5,8-DIOXO-1H-PYRROLO(1,2-A)INDOL-9-YL)METHYL)-
Systematic Name English
PORFIROMYCIN METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
H6O58DRA46
Created by admin on Sat Dec 16 16:11:51 GMT 2023 , Edited by admin on Sat Dec 16 16:11:51 GMT 2023
PRIMARY
PUBCHEM
154584807
Created by admin on Sat Dec 16 16:11:51 GMT 2023 , Edited by admin on Sat Dec 16 16:11:51 GMT 2023
PRIMARY
CAS
291751-78-5
Created by admin on Sat Dec 16 16:11:51 GMT 2023 , Edited by admin on Sat Dec 16 16:11:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE