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Details

Stereochemistry ABSOLUTE
Molecular Formula C73H92N14O15S2
Molecular Weight 1469.726
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of LS-301

SMILES

[H][C@@]12CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](CCCCN)C(O)=O)NC(=O)CCN3C(=CC=CC=CC=CC4=[N+](CCC([O-])=O)C5=C(C6=CC=CC=C6C=C5)C4(C)C)C(C)(C)C7=C3C=CC8=CC=CC=C78

InChI

InChIKey=FFEZUEIKRUQWTE-MYFKLRRKSA-N
InChI=1S/C73H92N14O15S2/c1-72(2)56(25-8-6-5-7-9-26-57-73(3,4)63-46-21-13-11-19-44(46)28-30-54(63)86(57)37-32-60(91)92)85(53-29-27-43-18-10-12-20-45(43)62(53)72)36-31-58(89)80-51-41-103-104-42-52(67(98)81-48(70(101)102)22-14-15-33-74)84-68(99)55-24-17-35-87(55)69(100)50(40-88)83-66(97)49(38-61(93)94)82-65(96)47(23-16-34-77-71(75)76)79-59(90)39-78-64(51)95/h5-13,18-21,25-30,47-52,55,88H,14-17,22-24,31-42,74H2,1-4H3,(H13-,75,76,77,78,79,80,81,82,83,84,89,90,91,92,93,94,95,96,97,98,99,101,102)/t47-,48-,49-,50-,51+,52-,55-/m0/s1

HIDE SMILES / InChI

Molecular Formula C73H92N14O15S2
Molecular Weight 1469.726
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:55:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:49 GMT 2023
Record UNII
M48HCF27ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LS-301
Code English
Cypate-Cyclo(Cys-Gly-Arg-Asp-Ser-Pro-Cys)-Lys-OH (LS301)
Common Name English
Code System Code Type Description
CAS
2041574-23-4
Created by admin on Sat Dec 16 19:55:49 GMT 2023 , Edited by admin on Sat Dec 16 19:55:49 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
167713319
Created by admin on Sat Dec 16 19:55:49 GMT 2023 , Edited by admin on Sat Dec 16 19:55:49 GMT 2023
PRIMARY
FDA UNII
M48HCF27ZE
Created by admin on Sat Dec 16 19:55:49 GMT 2023 , Edited by admin on Sat Dec 16 19:55:49 GMT 2023
PRIMARY
Related Record Type Details
TARGET->LIGAND
Related Record Type Details
ACTIVE MOIETY