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Details

Stereochemistry ABSOLUTE
Molecular Formula C71H110N24O18S
Molecular Weight 1619.848
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOMBESIN

SMILES

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=QXZBMSIDSOZZHK-DOPDSADYSA-N
InChI=1S/C71H110N24O18S/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)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C71H110N24O18S
Molecular Weight 1619.848
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 8
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:26:19 UTC 2023
Edited
by admin
on Fri Dec 15 16:26:19 UTC 2023
Record UNII
PX9AZU7QPK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BOMBESIN
MI  
Common Name English
PGLU-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
Common Name English
5-OXO-PRO-GLN-ARG-LEU-GLY-ASN-GLN-TRP-ALA-VAL-GLY-HIS-LEU-MET-NH2
Common Name English
ALYTESIN, 2-L-GLUTAMINE-6-L-ASPARAGINE-
Common Name English
L-METHIONINAMIDE, 5-OXO-L-PROLYL-L-GLUTAMINYL-L-ARGINYL-L-LEUCYLGLYCYL-L-ASPARAGINYL-L-GLUTAMINYL-L-TRYPTOPHYL-L-ALANYL-L-VALYLGLYCYL-L-HISTIDYL-L-LEUCYL-
Common Name English
BOMBESIN 14
Common Name English
BOMBESIN [MI]
Common Name English
Classification Tree Code System Code
LOINC 10874-6
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
NCI_THESAURUS C687
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
Code System Code Type Description
MESH
D001839
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY
NCI_THESAURUS
C315
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID1037149
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY
DRUG BANK
DB11724
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY
CAS
31362-50-2
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY
PUBCHEM
16133800
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY
FDA UNII
PX9AZU7QPK
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY
MERCK INDEX
m2602
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
BOMBESIN
Created by admin on Fri Dec 15 16:26:19 UTC 2023 , Edited by admin on Fri Dec 15 16:26:19 UTC 2023
PRIMARY