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alpha-Asp-Ile

PropertiesImage
MNX_IDMNXM102495 Image of MNXM102495
referencechebi:68599
formulaC10H18N2O5
global charge0
mol weight246.263
InChIKeyBSWHERGFUNMWGS-HAFWLYHUSA-N
InChIInChI=1S/C10H18N2O5/c1-3-5(2)8(10(16)17)12-9(15)6(11)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t5-,6-,8-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C10H18N2O5/c1-3-5(2)8(10(16)17)12-9(15)6(11)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t5-,6-,8-/m0/s1 Image of MNXM102495
SMILES (mnx)[CH3:1][CH2:3][C@H:5]([CH3:2])[C@@H:8]([C:10](=[O:16])[OH:17])[N:12]=[C:9]([C@H:6]([CH2:4][C:7](=[O:13])[OH:14])[NH2:11])[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68599
chebi:68599
BSWHERGFUNMWGS-HAFWLYHUSA-N 		alpha-Asp-Ile
Aspartyl-Isoleucine
L-alpha-Asp-L-Ile
L-alpha-aspartyl-L-isoleucine

CHEBI:191015
chebi:191015
BSWHERGFUNMWGS-UHFFFAOYSA-N 		Asp-Ile
2-[(2-amino-3-carboxypropanoyl)amino]-3-methylpentanoic acid
hmdb:HMDB0028756
BSWHERGFUNMWGS-UHFFFAOYSA-N 		Aspartyl-Isoleucine
2-(2-amino-3-carboxypropanamido)-3-methylpentanoic acid
2-[(2-Amino-3-carboxy-1-hydroxypropylidene)amino]-3-methylpentanoate
Asp-ile
Aspartate isoleucine dipeptide
Aspartate-isoleucine dipeptide
Aspartylisoleucine
D-I dipeptide
DI dipeptide
L-Aspartyl-L-isoleucine

hmdb:HMDB28756 		secondary/obsolete/fantasy identifier