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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H112N22O16
Molecular Weight 1553.8082
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLO(-THR-TRP-ILE-DAB-ORN-D-DAB-DAB-TRP-DAB-DAB-ALA-SER-D-PRO-PRO)

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC6=CC7=C(N6)C=CC=C7)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

InChI

InChIKey=NMOSDUUZQBQTSX-NZUANIILSA-N
InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-54(35-43-33-41-13-6-8-15-45(41)82-43)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)81-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-53(68(106)92-58)34-42-36-80-46-16-9-7-14-44(42)46/h6-9,13-16,33,36,38-40,47-59,80,82,96-97H,5,10-12,17-32,34-35,37,74-79H2,1-4H3,(H,81,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1

HIDE SMILES / InChI

Molecular Formula C73H112N22O16
Molecular Weight 1553.8082
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:39:51 GMT 2023
Edited
by admin
on Sat Dec 16 04:39:51 GMT 2023
Record UNII
D014V51L37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLO(-THR-TRP-ILE-DAB-ORN-D-DAB-DAB-TRP-DAB-DAB-ALA-SER-D-PRO-PRO)
Common Name English
Code System Code Type Description
PUBCHEM
119026111
Created by admin on Sat Dec 16 04:39:51 GMT 2023 , Edited by admin on Sat Dec 16 04:39:51 GMT 2023
PRIMARY
FDA UNII
D014V51L37
Created by admin on Sat Dec 16 04:39:51 GMT 2023 , Edited by admin on Sat Dec 16 04:39:51 GMT 2023
PRIMARY