TETRASODIUM 4-(2-(((5S)-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-HYDROXY-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-5-((2-((3,6-DISULFONATO-1-NAPHTHYL)OXY)ACETYL)AMINO)-6-OXO-HEXYL)AMINO)-2-OXO-ETHOXY)NAPHTHALENE-2,7-DISULFONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H50N6O20S4.4Na
Molecular Weight	1179.094
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TETRASODIUM 4-(2-(((5S)-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-HYDROXY-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-5-((2-((3,6-DISULFONATO-1-NAPHTHYL)OXY)ACETYL)AMINO)-6-OXO-HEXYL)AMINO)-2-OXO-ETHOXY)NAPHTHALENE-2,7-DISULFONATE

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=CC(=CC4=CC(=CC=C34)S([O-])(=O)=O)S([O-])(=O)=O)C(O)=O

InChI

InChIKey=FWRWBMYUOOQQDU-VZAJLCBJSA-J

InChI=1S/C42H54N6O20S4.4Na/c43-33(40(51)46-15-5-2-8-34(44)42(53)54)7-1-4-16-47-41(52)35(48-39(50)24-68-37-22-30(72(64,65)66)20-26-18-28(70(58,59)60)11-13-32(26)37)9-3-6-14-45-38(49)23-67-36-21-29(71(61,62)63)19-25-17-27(69(55,56)57)10-12-31(25)36;;;;/h10-13,17-22,33-35H,1-9,14-16,23-24,43-44H2,(H,45,49)(H,46,51)(H,47,52)(H,48,50)(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4/t33-,34-,35-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula	C42H50N6O20S4
Molecular Weight	1087.135
Charge	-4
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 23:50:58 GMT 2025` Edited by `admin` on `Tue Apr 01 23:50:58 GMT 2025`
Record UNII	LF9WH2CE4I
Record Status	`Validated (UNII)`
Record Version

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TETRASODIUM 4-(2-(((5S)-6-(((5S)-5-AMINO-6-(((5S)-5-AMINO-6-HYDROXY-6-OXO-HEXYL)AMINO)-6-OXO-HEXYL)AMINO)-5-((2-((3,6-DISULFONATO-1-NAPHTHYL)OXY)ACETYL)AMINO)-6-OXO-HEXYL)AMINO)-2-OXO-ETHOXY)NAPHTHALENE-2,7-DISULFONATE

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FDA UNII

LF9WH2CE4I

Created by admin on Tue Apr 01 23:50:58 GMT 2025 , Edited by admin on Tue Apr 01 23:50:58 GMT 2025

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PUBCHEM

138455046

Created by admin on Tue Apr 01 23:50:58 GMT 2025 , Edited by admin on Tue Apr 01 23:50:58 GMT 2025

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