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Details

Stereochemistry ABSOLUTE
Molecular Formula C55H83N21O11
Molecular Weight 1214.3816
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HL-9

SMILES

CC(C)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=C3C=CC=C4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI

InChIKey=WZPAHRVGUXGSFK-YJZJKGEDSA-N
InChI=1S/C55H83N21O11/c1-27(2)43(76-50(84)40(23-31-26-68-36-16-8-6-13-33(31)36)74-44(78)28(3)69-46(80)34(56)14-9-19-64-53(58)59)51(85)70-29(4)45(79)73-39(22-30-25-67-35-15-7-5-12-32(30)35)48(82)71-37(17-10-20-65-54(60)61)47(81)75-41(24-42(57)77)49(83)72-38(52(86)87)18-11-21-66-55(62)63/h5-8,12-13,15-16,25-29,34,37-41,43,67-68H,9-11,14,17-24,56H2,1-4H3,(H2,57,77)(H,69,80)(H,70,85)(H,71,82)(H,72,83)(H,73,79)(H,74,78)(H,75,81)(H,76,84)(H,86,87)(H4,58,59,64)(H4,60,61,65)(H4,62,63,66)/t28-,29-,34-,37-,38-,39-,40-,41-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula C55H83N21O11
Molecular Weight 1214.3816
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:02:53 GMT 2023
Edited
by admin
on Fri Dec 15 16:02:53 GMT 2023
Record UNII
CEX9FB4C13
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HL-9
Code English
L-ARGININE, L-ARGINYL-L-ALANYL-L-TRYPTOPHYL-L-VALYL-L-ALANYL-L-TRYPTOPHYL-L-ARGINYL-L-ASPARAGINYL-
Systematic Name English
Code System Code Type Description
FDA UNII
CEX9FB4C13
Created by admin on Fri Dec 15 16:02:53 GMT 2023 , Edited by admin on Fri Dec 15 16:02:53 GMT 2023
PRIMARY
CAS
388578-99-2
Created by admin on Fri Dec 15 16:02:53 GMT 2023 , Edited by admin on Fri Dec 15 16:02:53 GMT 2023
PRIMARY
PUBCHEM
5480724
Created by admin on Fri Dec 15 16:02:53 GMT 2023 , Edited by admin on Fri Dec 15 16:02:53 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY