ASTODRIMER SODIUM MODIFIED PENTALYSINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C67H85N11O21S4.4Na
Molecular Weight	1600.672
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ASTODRIMER SODIUM MODIFIED PENTALYSINE

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].N[C@@H](CCCCNC(=O)[C@@H](N)CCCCNC(=O)[C@H](CCCCNC(=O)COC1=C2C=CC(=CC2=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O)NC(=O)COC3=C4C=CC(=CC4=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O)C(=O)NCCCC[C@H](N)C(=O)NCCCC[C@H](N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChIKey=HDRYOZXYMWGPJG-LRRCTPSBSA-J

InChI=1S/C67H89N11O21S4.4Na/c68-53(63(81)73-31-12-8-22-54(69)64(82)75-33-14-10-24-56(71)66(84)78-62(43-17-3-1-4-18-43)44-19-5-2-6-20-44)21-7-13-32-74-65(83)55(70)23-9-15-34-76-67(85)57(77-61(80)42-99-59-40-50(103(95,96)97)38-46-36-48(101(89,90)91)27-29-52(46)59)25-11-16-30-72-60(79)41-98-58-39-49(102(92,93)94)37-45-35-47(100(86,87)88)26-28-51(45)58;;;;/h1-6,17-20,26-29,35-40,53-57,62H,7-16,21-25,30-34,41-42,68-71H2,(H,72,79)(H,73,81)(H,74,83)(H,75,82)(H,76,85)(H,77,80)(H,78,84)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97);;;;/q;4*+1/p-4/t53-,54-,55-,56-,57-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C67H85N11O21S4
Molecular Weight	1508.713
Charge	-4
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:51:05 GMT 2023` Edited by `admin` on `Sat Dec 16 14:51:05 GMT 2023`
Record UNII	VOP2TX5Y69
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASTODRIMER SODIUM MODIFIED PENTALYSINE

Common Name

English

TETRASODIUM 4-(2-(((5S)-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-(BENZHYDRYLAMINO)-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-5-((2-((3,6-DISULFONATO-1-NAPHTHYL)OXY)ACETYL)AMINO)-6-OXO-HEXYL)A

Systematic Name

English

Code System Code Type Description

FDA UNII

VOP2TX5Y69

Created by admin on Sat Dec 16 14:51:05 GMT 2023 , Edited by admin on Sat Dec 16 14:51:05 GMT 2023

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PUBCHEM

138454965

Created by admin on Sat Dec 16 14:51:05 GMT 2023 , Edited by admin on Sat Dec 16 14:51:05 GMT 2023

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