2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate (CHEBI:142971)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate

ChEBI ID	CHEBI:142971

ChEBI ASCII Name	2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate

Definition	The stereoconfiguration is based on CHEBI:134612, pmid:20810662

Stars	This entity has been manually annotated by a third party.

Submitter	Kristian Axelsen

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C11H20N4O7

Net Charge

Average Mass

320.300

Monoisotopic Mass

320.13320

InChI

InChI=1S/C11H20N4O7/c12-1-2-14-7(16)3-11(22,10(20)21)4-8(17)15-5-6(13)9(18)19/h6,22H,1-5,12-13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)/t6-,11-/m0/s1

InChIKey

GKMWYFDLBOVUPV-KGFZYKRKSA-N

SMILES

O=C(NCC[NH3+])C[C@](CC(=O)NC[C@@H](C([O-])=O)[NH3+])(C([O-])=O)O

ChEBI Ontology
Outgoing	2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate (CHEBI:142971) has functional parent staphyloferrin B(2−) (CHEBI:136993) 2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate (CHEBI:142971) is a organic molecular entity (CHEBI:50860)

Synonym	Source
2-[(L-alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate	UniProt

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