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

Details

Stereochemistry ABSOLUTE
Molecular Formula C78H106N18O20S2
Molecular Weight 1679.915
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Acetyl somatostatin

SMILES

[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](CC6=CC=CC=C6)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(C)=O)[C@@H](C)O

InChI

InChIKey=UMKSPLVFRCJVTD-QRWDWOIOSA-N
InChI=1S/C78H106N18O20S2/c1-42(84-45(4)100)66(103)83-38-63(102)85-60-40-117-118-41-61(78(115)116)94-74(111)59(39-97)93-77(114)65(44(3)99)96-73(110)56(34-48-24-12-7-13-25-48)92-76(113)64(43(2)98)95-68(105)53(29-17-19-31-80)86-71(108)57(35-49-37-82-51-27-15-14-26-50(49)51)90-70(107)55(33-47-22-10-6-11-23-47)88-69(106)54(32-46-20-8-5-9-21-46)89-72(109)58(36-62(81)101)91-67(104)52(87-75(60)112)28-16-18-30-79/h5-15,20-27,37,42-44,52-61,64-65,82,97-99H,16-19,28-36,38-41,79-80H2,1-4H3,(H2,81,101)(H,83,103)(H,84,100)(H,85,102)(H,86,108)(H,87,112)(H,88,106)(H,89,109)(H,90,107)(H,91,104)(H,92,113)(H,93,114)(H,94,111)(H,95,105)(H,96,110)(H,115,116)/t42-,43+,44+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-,65-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-Acetyl somatostatin
Common Name English
SOMATOSTATIN IMPURITY C [EP IMPURITY]
Common Name English
Somatostatin (sheep), N-acetyl-
Common Name English
[Ac-Ala <SUP>1</SUP>]somatostatin
Common Name English
acetylsomatostatin
Common Name English
Code System Code Type Description
PUBCHEM
167713295
Created by admin on Sat Dec 16 19:49:59 GMT 2023 , Edited by admin on Sat Dec 16 19:49:59 GMT 2023
PRIMARY
FDA UNII
GA3HTL9RTH
Created by admin on Sat Dec 16 19:49:59 GMT 2023 , Edited by admin on Sat Dec 16 19:49:59 GMT 2023
PRIMARY
CAS
66587-33-5
Created by admin on Sat Dec 16 19:49:59 GMT 2023 , Edited by admin on Sat Dec 16 19:49:59 GMT 2023
PRIMARY