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2(S),3'(S),3'(S)-N-(N-[3-Amino-3-carboxy-propyl]-3-amino-3-carboxy-propyl)-azetidine-2-carboxylic acid
SpectraBase Compound ID 5Pc99BMv2GA
InChI InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey KRGPXXHMOXVMMM-UHFFFAOYSA-N
Mol Weight 303.31 g/mol
Molecular Formula C12H21N3O6
Exact Mass 303.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhbJzbUTJfq
Name 1-Azetidinebutanoic acid, .alpha.-[(3-amino-3-carboxypropyl)amino]-2-carboxy-, [2S-[1[.alpha.R*(R*)],2R*]]-
CAS Registry Number 34441-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21N3O6
InChI InChI=1S/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey KRGPXXHMOXVMMM-UHFFFAOYSA-N
Molecular Weight 303.315 g/mol
SMILES OC(C1N(CCC(C(=O)O)NCCC(C(=O)O)N)CC1)=O
SPLASH splash10-0aba-9200000000-2a3b5a9c027ad0fe409c
Source of Spectrum F-37-195-0
Synonyms 1-Azetidinebutanoic acid, .alpha.-((3-amino-3-carboxypropyl)amino)-2-carboxy-, (2S-(1(alphaR*(R*)),2R*))- N-(N-(3-amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid Nicotianamine
Wiley ID 1305402