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Details

Stereochemistry ABSOLUTE
Molecular Formula C71H110N24O18S.2ClH
Molecular Weight 1692.77
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOMBESIN DIHYDROCHLORIDE

SMILES

Cl.Cl.CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]4CCC(=O)N4)C(C)C)C(N)=O

InChI

InChIKey=VMJYQBARVAILCT-RDVJJKDBSA-N
InChI=1S/C71H110N24O18S.2ClH/c1-34(2)24-47(92-62(105)43(14-11-22-79-71(76)77)89-64(107)45(15-18-52(72)96)90-63(106)44-17-20-55(99)85-44)61(104)81-31-56(100)87-51(28-54(74)98)69(112)91-46(16-19-53(73)97)65(108)94-49(26-38-29-80-41-13-10-9-12-40(38)41)66(109)84-37(7)60(103)95-58(36(5)6)70(113)82-32-57(101)86-50(27-39-30-78-33-83-39)68(111)93-48(25-35(3)4)67(110)88-42(59(75)102)21-23-114-8;;/h9-10,12-13,29-30,33-37,42-51,58,80H,11,14-28,31-32H2,1-8H3,(H2,72,96)(H2,73,97)(H2,74,98)(H2,75,102)(H,78,83)(H,81,104)(H,82,113)(H,84,109)(H,85,99)(H,86,101)(H,87,100)(H,88,110)(H,89,107)(H,90,106)(H,91,112)(H,92,105)(H,93,111)(H,94,108)(H,95,103)(H4,76,77,79);2*1H/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BOMBESIN DIHYDROCHLORIDE
Common Name English
BOMBESIN HYDROCHLORIDE
MI  
Common Name English
ALYTESIN, 2-L-GLUTAMINE-6-L-ASPARAGINE-, DIHYDROCHLORIDE
Common Name English
BOMBESIN, DIHYDROCHLORIDE
Common Name English
BOMBESIN HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
DRUG BANK
DBSALT002057
Created by admin on Sat Dec 16 05:31:01 UTC 2023 , Edited by admin on Sat Dec 16 05:31:01 UTC 2023
PRIMARY
CAS
33910-70-2
Created by admin on Sat Dec 16 05:31:01 UTC 2023 , Edited by admin on Sat Dec 16 05:31:01 UTC 2023
PRIMARY
MERCK INDEX
m2602
Created by admin on Sat Dec 16 05:31:01 UTC 2023 , Edited by admin on Sat Dec 16 05:31:01 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID10187533
Created by admin on Sat Dec 16 05:31:01 UTC 2023 , Edited by admin on Sat Dec 16 05:31:01 UTC 2023
PRIMARY
FDA UNII
7LN1X0A80V
Created by admin on Sat Dec 16 05:31:01 UTC 2023 , Edited by admin on Sat Dec 16 05:31:01 UTC 2023
PRIMARY
PUBCHEM
71587120
Created by admin on Sat Dec 16 05:31:01 UTC 2023 , Edited by admin on Sat Dec 16 05:31:01 UTC 2023
PRIMARY