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Isoleucyl-Aspartate

PropertiesImage
MNX_IDMNXM126862 Image of MNXM126862
referencechebi:177273
formulaC10H18N2O5
global charge0
mol weight246.263
InChIKeyWKXVAXOSIPTXEC-UHFFFAOYSA-N
InChIInChI=1S/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)
SMILESCCC(C)C(N)C(=O)NC(CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t5?,6?,8? Image of MNXM126862
SMILES (mnx)[CH3:1][CH2:3][CH:5]([CH3:2])[CH:8]([C:9](=[N:12][CH:6]([CH2:4][C:7](=[O:13])[OH:14])[C:10](=[O:16])[OH:17])[OH:15])[NH2:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:177273
chebi:177273
WKXVAXOSIPTXEC-UHFFFAOYSA-N 		Isoleucyl-Aspartate
2-[(2-amino-3-methylpentanoyl)amino]butanedioic acid
hmdb:HMDB0028903
WKXVAXOSIPTXEC-UHFFFAOYSA-N 		Isoleucyl-Aspartate
2-(2-amino-3-methylpentanamido)butanedioic acid
2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]butanedioate
I-D dipeptide
ID dipeptide
Ile-asp
Isoleucine aspartate dipeptide
Isoleucine-aspartate dipeptide
Isoleucyl-aspartic acid
Isoleucylaspartate
L-Isoleucyl-L-aspartate

sabiork.compound:26828
sabiorkM:26828
WKXVAXOSIPTXEC-UHFFFAOYSA-N 		L-Isoleucyl-L-aspartate

hmdb:HMDB28903 		secondary/obsolete/fantasy identifier