N-[4-[[(4S)-4-[[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-L-glutamic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H31N9O10
Molecular Weight	689.6321
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[4-[[(4S)-4-[[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-L-glutamic acid

Structure Search

SMILES

NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)NC4=CC=C(C=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)=CNC2=N1

InChI

InChIKey=NJIKISQEZZPADF-SFTDATJTSA-N

InChI=1S/C31H31N9O10/c32-31-39-25-24(28(46)40-31)36-19(14-34-25)13-33-17-5-1-15(2-6-17)26(44)37-20(29(47)48)9-11-22(41)35-18-7-3-16(4-8-18)27(45)38-21(30(49)50)10-12-23(42)43/h1-8,14,20-21,33H,9-13H2,(H,35,41)(H,37,44)(H,38,45)(H,42,43)(H,47,48)(H,49,50)(H3,32,34,39,40,46)/t20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H31N9O10
Molecular Weight	689.6321
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 19:46:13 GMT 2023` Edited by `admin` on `Sat Dec 16 19:46:13 GMT 2023`
Record UNII	U68SZW9XKL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[4-[[(4S)-4-[[4-[[(2-Amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-L-glutamic acid

Common Name

English

FOLIC ACID HYDRATE IMPURITY H [EP IMPURITY]

Common Name

English

L-Glutamic acid, N-[4-[[(4S)-4-[[4-[[(2-amino-3,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]amino]-4-carboxy-1-oxobutyl]amino]benzoyl]-

Systematic Name

English

(2S)-2-[4-[(4S)-4-[4-[[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino]benzamido]-4-carboxybutanamido]benzamido]pentanedioic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

141747970

Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023

PRIMARY

FDA UNII

U68SZW9XKL

Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023

PRIMARY

CAS

2366274-27-1

Created by admin on Sat Dec 16 19:46:14 GMT 2023 , Edited by admin on Sat Dec 16 19:46:14 GMT 2023

PRIMARY

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