Methotrexate-γ-aspartate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27N9O8
Molecular Weight	569.5267
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=XYYCIYYWAVAWDS-GJZGRUSLSA-N

InChI=1S/C24H27N9O8/c1-33(10-12-9-27-20-18(28-12)19(25)31-24(26)32-20)13-4-2-11(3-5-13)21(37)30-14(22(38)39)6-7-16(34)29-15(23(40)41)8-17(35)36/h2-5,9,14-15H,6-8,10H2,1H3,(H,29,34)(H,30,37)(H,35,36)(H,38,39)(H,40,41)(H4,25,26,27,31,32)/t14-,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H27N9O8
Molecular Weight	569.5267
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 `Sat Dec 16 16:35:00 GMT 2023` Edited by `admin` on `Sat Dec 16 16:35:00 GMT 2023`
Record UNII	XXH4TT252A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methotrexate-γ-aspartate

Common Name

English

L-Aspartic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl-

Common Name

English

NSC-275631

Code

English

(2S)-2-(((4S)-4-((4-((2,4-BIS(AZANYL)PTERIDIN-6-YL)METHYL-METHYL-AMINO)PHENYL)CARBONYLAMINO)-5-OXIDANYL-5-OXIDANYLIDENE-PENTANOYL)AMINO)BUTANEDIOIC ACID

Systematic Name

English

L-Aspartic acid, N-[N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-γ-glutamyl]-

Common Name

English

Code System Code Type Description

PUBCHEM

100255