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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H45N9O10S2
Molecular Weight 731.841
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (PGLU4,CYT6)OXYTOCIN 4-9

SMILES

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSSC[C@H](N)C(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCC(=O)N2)C(=O)NCC(N)=O

InChI

InChIKey=PWEAEIPNFANUJR-DYKIIFRCSA-N
InChI=1S/C28H45N9O10S2/c1-13(2)8-16(23(41)32-10-21(31)39)35-26(44)19-4-3-7-37(19)27(45)18(12-49-48-11-14(29)28(46)47)36-25(43)17(9-20(30)38)34-24(42)15-5-6-22(40)33-15/h13-19H,3-12,29H2,1-2H3,(H2,30,38)(H2,31,39)(H,32,41)(H,33,40)(H,34,42)(H,35,44)(H,36,43)(H,46,47)/t14-,15-,16-,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(PGLU4,CYT6)OXYTOCIN 4-9
Common Name English
GLYCINAMIDE, 5-OXO-L-PROLYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-LEUCYL-, DISULFIDE WITH L-CYSTEINE
Systematic Name English
OT(4-9)
Common Name English
Code System Code Type Description
CAS
84953-80-0
Created by admin on Sat Dec 16 14:48:48 GMT 2023 , Edited by admin on Sat Dec 16 14:48:48 GMT 2023
PRIMARY
PUBCHEM
154731588
Created by admin on Sat Dec 16 14:48:48 GMT 2023 , Edited by admin on Sat Dec 16 14:48:48 GMT 2023
PRIMARY
FDA UNII
T88CX64XWL
Created by admin on Sat Dec 16 14:48:48 GMT 2023 , Edited by admin on Sat Dec 16 14:48:48 GMT 2023
PRIMARY