.GAMMA.-GLUTAMYL-S-(2-(2-(3-(((4-CHLORO-3-METHYL-5-ISOXAZOLYL)AMINO)SULFONYL)-2-THIENYL)-2-OXOETHYL)-5,6-DIHYDROXY-3-METHYLPHENYL)-L-CYSTEINYL-GLYCINE, L-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30ClN5O12S3
Molecular Weight	748.201
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .GAMMA.-GLUTAMYL-S-(2-(2-(3-(((4-CHLORO-3-METHYL-5-ISOXAZOLYL)AMINO)SULFONYL)-2-THIENYL)-2-OXOETHYL)-5,6-DIHYDROXY-3-METHYLPHENYL)-L-CYSTEINYL-GLYCINE, L-

Structure Search

SMILES

CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC3=C(C)C=C(O)C(O)=C3SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)=C1Cl

InChI

InChIKey=SVBBZUSELHPUJQ-GJZGRUSLSA-N

InChI=1S/C27H30ClN5O12S3/c1-11-7-16(34)22(39)23(47-10-15(25(40)30-9-20(37)38)31-19(36)4-3-14(29)27(41)42)13(11)8-17(35)24-18(5-6-46-24)48(43,44)33-26-21(28)12(2)32-45-26/h5-7,14-15,33-34,39H,3-4,8-10,29H2,1-2H3,(H,30,40)(H,31,36)(H,37,38)(H,41,42)/t14-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H30ClN5O12S3
Molecular Weight	748.201
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:04:42 GMT 2025` Edited by `admin` on `Mon Mar 31 20:04:42 GMT 2025`
Record UNII	9Y2LY1JIQK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAXENTAN METABOLITE M3

Preferred Name

English

.GAMMA.-GLUTAMYL-S-(2-(2-(3-(((4-CHLORO-3-METHYL-5-ISOXAZOLYL)AMINO)SULFONYL)-2-THIENYL)-2-OXOETHYL)-5,6-DIHYDROXY-3-METHYLPHENYL)-L-CYSTEINYL-GLYCINE, L-

Common Name

English

GLYCINE, L-.GAMMA.-GLUTAMYL-S-(2-(2-(3-(((4-CHLORO-3-METHYL-5-ISOXAZOLYL)AMINO)SULFONYL)-2-THIENYL)-2-OXOETHYL)-5,6-DIHYDROXY-3-METHYLPHENYL)-L-CYSTEINYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

76968469

Created by admin on Mon Mar 31 20:04:42 GMT 2025 , Edited by admin on Mon Mar 31 20:04:42 GMT 2025

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CAS

1439124-09-0

Created by admin on Mon Mar 31 20:04:42 GMT 2025 , Edited by admin on Mon Mar 31 20:04:42 GMT 2025

PRIMARY

FDA UNII

9Y2LY1JIQK

Created by admin on Mon Mar 31 20:04:42 GMT 2025 , Edited by admin on Mon Mar 31 20:04:42 GMT 2025

PRIMARY

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