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His-Asp

PropertiesImage
MNX_IDMNXM1371079 Image of MNXM1371079
referencesabiorkM:27183
formulaC10H14N4O5
global charge0
mol weight270.245
InChIKeyMDCTVRUPVLZSPG-UHFFFAOYSA-N
InChIInChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)
SMILESNC(CC1=CN=CN1)C(O)=NC(CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6?,7? Image of MNXM1371079
SMILES (mnx)[CH2:1]([C:5]1=[CH:3][N:12]=[CH:4][NH:13]1)[CH:6]([C:9](=[N:14][CH:7]([CH2:2][C:8](=[O:15])[OH:16])[C:10](=[O:18])[OH:19])[OH:17])[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

sabiork.compound:27183
sabiorkM:27183
MDCTVRUPVLZSPG-UHFFFAOYSA-N 		His-Asp