N-[4-[3-[2-Amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-L-glutamic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21N5O8
Molecular Weight	459.4094
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[4-[3-[2-Amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-L-glutamic acid

Structure Search

SMILES

NC1=NC(=O)C(C(=O)CCC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=C(NC=O)N1

InChI

InChIKey=ZQLFWLDXMXHPNR-LBPRGKRZSA-N

InChI=1S/C20H21N5O8/c21-20-24-16(22-9-26)15(18(31)25-20)13(27)7-3-10-1-4-11(5-2-10)17(30)23-12(19(32)33)6-8-14(28)29/h1-2,4-5,9,12H,3,6-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,26,31)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H21N5O8
Molecular Weight	459.4094
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:21:27 GMT 2025` Edited by `admin` on `Wed Apr 02 17:21:27 GMT 2025`
Record UNII	RLY95DB7FY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[4-[3-[2-Amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-L-glutamic acid

Systematic Name

English

Pemetrexed Open-Ring N-Formyl Keto Amine

Preferred Name

English

(2S)-2-[[4-[3-(2-Amino-4-formamido-6-oxo-1H-pyrimidin-5-yl)-3-oxopropyl]benzoyl]amino]pentanedioic acid

Systematic Name

English

L-Glutamic acid, N-[4-[3-[2-amino-4-(formylamino)-1,6-dihydro-6-oxo-5-pyrimidinyl]-3-oxopropyl]benzoyl]-

Systematic Name

English

Pemetrexed seco-indolone

Common Name

English

Code System Code Type Description

FDA UNII

RLY95DB7FY

Created by admin on Wed Apr 02 17:21:27 GMT 2025 , Edited by admin on Wed Apr 02 17:21:27 GMT 2025

PRIMARY

PUBCHEM

145709349

Created by admin on Wed Apr 02 17:21:27 GMT 2025 , Edited by admin on Wed Apr 02 17:21:27 GMT 2025

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CAS

1644286-35-0

Created by admin on Wed Apr 02 17:21:27 GMT 2025 , Edited by admin on Wed Apr 02 17:21:27 GMT 2025

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