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Details

Stereochemistry ABSOLUTE
Molecular Formula C76H104N18O19S2
Molecular Weight 1637.878
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-D-TRYPTOPHAN-SOMATOSTATIN

SMILES

[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)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)N)[C@@H](C)O

InChI

InChIKey=NHXLMOGPVYXJNR-ZPHDWPCDSA-N
InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55+,56-,57-,58-,59-,62-,63-/m0/s1

HIDE SMILES / InChI

Molecular Formula C76H104N18O19S2
Molecular Weight 1637.878
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:58:20 GMT 2023
Edited
by admin
on Fri Dec 15 15:58:20 GMT 2023
Record UNII
O1208M5SQ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-D-TRYPTOPHAN-SOMATOSTATIN
Common Name English
SOMATOSTATIN (SHEEP), 8-D-TRYPTOPHAN-
Common Name English
(D-TRP8)-SOMATOSTATIN-14
Common Name English
(D-TRYPTOPHAN8)SOMATOSTATIN
Common Name English
Code System Code Type Description
CAS
58976-46-8
Created by admin on Fri Dec 15 15:58:20 GMT 2023 , Edited by admin on Fri Dec 15 15:58:20 GMT 2023
PRIMARY
PUBCHEM
16130982
Created by admin on Fri Dec 15 15:58:20 GMT 2023 , Edited by admin on Fri Dec 15 15:58:20 GMT 2023
PRIMARY
FDA UNII
O1208M5SQ8
Created by admin on Fri Dec 15 15:58:20 GMT 2023 , Edited by admin on Fri Dec 15 15:58:20 GMT 2023
PRIMARY