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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H47N7O14.ClH
Molecular Weight 778.204
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENDETIDE HYDROCHLORIDE

SMILES

Cl.NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O

InChI

InChIKey=JMNLEUSKHHGBMQ-SJEIDVEUSA-N
InChI=1S/C31H47N7O14.ClH/c32-14-24(40)34-23(13-20-4-6-21(39)7-5-20)30(50)35-22(31(51)52)3-1-2-8-33-25(41)15-37(17-27(44)45)11-9-36(16-26(42)43)10-12-38(18-28(46)47)19-29(48)49;/h4-7,22-23,39H,1-3,8-19,32H2,(H,33,41)(H,34,40)(H,35,50)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,51,52);1H/t22-,23-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C31H47N7O14
Molecular Weight 741.7434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:04:24 GMT 2025
Edited
by admin
on Mon Mar 31 21:04:24 GMT 2025
Record UNII
1958372QOD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]hexanoic acid hydrochloride
Preferred Name English
PENDETIDE HYDROCHLORIDE
Common Name English
L-Lysine, N6-[N-[2-[[2-[bis(carboxymethyl)amino]ethyl](carboxymethyl)amino]ethyl]-N-(carboxymethyl)glycyl]-N2-(N-glycyl-L-tyrosyl)-, monohydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70166667
Created by admin on Mon Mar 31 21:04:24 GMT 2025 , Edited by admin on Mon Mar 31 21:04:24 GMT 2025
PRIMARY
PUBCHEM
71587549
Created by admin on Mon Mar 31 21:04:24 GMT 2025 , Edited by admin on Mon Mar 31 21:04:24 GMT 2025
PRIMARY
CAS
159489-28-8
Created by admin on Mon Mar 31 21:04:24 GMT 2025 , Edited by admin on Mon Mar 31 21:04:24 GMT 2025
PRIMARY
FDA UNII
1958372QOD
Created by admin on Mon Mar 31 21:04:24 GMT 2025 , Edited by admin on Mon Mar 31 21:04:24 GMT 2025
PRIMARY
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