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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31Cl2N5O7
Molecular Weight 572.438
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOCHLOROTINE

SMILES

CC[C@@H]1NC(=O)[C@@H]2[C@H](Cl)[C@H](Cl)CN2C(=O)[C@H](CO)NC(=O)C[C@@H](NC(=O)[C@H](CO)NC1=O)C3=CC=CC=C3

InChI

InChIKey=PMBVHCCVEPYDSN-BADCMNFISA-N
InChI=1S/C24H31Cl2N5O7/c1-2-14-21(35)30-16(10-32)22(36)29-15(12-6-4-3-5-7-12)8-18(34)27-17(11-33)24(38)31-9-13(25)19(26)20(31)23(37)28-14/h3-7,13-17,19-20,32-33H,2,8-11H2,1H3,(H,27,34)(H,28,37)(H,29,36)(H,30,35)/t13-,14+,15-,16+,17+,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31Cl2N5O7
Molecular Weight 572.438
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:38:50 GMT 2023
Edited
by admin
on Sat Dec 16 08:38:50 GMT 2023
Record UNII
B9GK4M718Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOCHLOROTINE
Common Name English
YELLOWED RICE TOXIN
Common Name English
CHLOROPEPTIDE, FROM PENICILLIUM ISLANDICUM
Common Name English
ISLANDITOXIN
Common Name English
CYCLO((R)-3-PHENYL-.BETA.-ALANYL-L-SERYL-(2.ALPHA.,3.ALPHA.,4.ALPHA.)-3,4-DICHLORO-L-PROLYL-L-2-AMINOBUTANOYL-L-SERYL)
Systematic Name English
CYCLOCHLOROTINE [IARC]
Common Name English
CYCLO((3R)-3-PHENYL-.BETA.-ALANYL-L-SERYL-(3S,4R)-3,4-DICHLORO-L-PROLYL-(2S)-2-AMINOBUTANOYL-L-SERYL)
Systematic Name English
CYCLIC(L-3-PHENYL-.BETA.-ALANYL-L-SERYLDICHLORO-L-PROLYL-L-.ALPHA.-AMINOBUTYRYL-L-SERYL)
Common Name English
CYCLIC(L-3-PHENYL-.BETA.-ALANYL-L-SERYL-3,4-DICHLORO-L-PROLYL- L-.ALPHA.-AMINOBUTYRYL-L-SERYL)
Common Name English
CHLORINE CONTAINING PEPTIDE
Common Name English
CHLOROPEPTIDE [HSDB]
Common Name English
CYCLIC(L-3-PHENYL-.BETA.-ALANYL-L-SERYL-(3S-CIS)-3,4-DICHLORO- L-PROLYL-L-.ALPHA.-AMINOBUTYRYL-L-SERYL)
Systematic Name English
CHLORINE-CONTAINING PEPTIDE, FROM PENICILLIUM ISLANDICUM
Common Name English
Code System Code Type Description
PUBCHEM
57134655
Created by admin on Sat Dec 16 08:38:50 GMT 2023 , Edited by admin on Sat Dec 16 08:38:50 GMT 2023
PRIMARY
CAS
12663-46-6
Created by admin on Sat Dec 16 08:38:50 GMT 2023 , Edited by admin on Sat Dec 16 08:38:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID1020356
Created by admin on Sat Dec 16 08:38:50 GMT 2023 , Edited by admin on Sat Dec 16 08:38:50 GMT 2023
PRIMARY
WIKIPEDIA
Cyclochlorotine
Created by admin on Sat Dec 16 08:38:50 GMT 2023 , Edited by admin on Sat Dec 16 08:38:50 GMT 2023
PRIMARY
HSDB
3478
Created by admin on Sat Dec 16 08:38:50 GMT 2023 , Edited by admin on Sat Dec 16 08:38:50 GMT 2023
PRIMARY
FDA UNII
B9GK4M718Q
Created by admin on Sat Dec 16 08:38:50 GMT 2023 , Edited by admin on Sat Dec 16 08:38:50 GMT 2023
PRIMARY