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Ala-Trp

PropertiesImage
MNX_IDMNXM729883 Image of MNXM729883
referencesabiorkM:28606
formulaC14H17N3O3
global charge0
mol weight275.308
InChIKeyWUGMRIBZSVSJNP-UHFFFAOYSA-N
InChIInChI=1S/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)
SMILESCC(N)C(O)=NC(CC1=CNC2=CC=CC=C12)C(=O)O
MNX internals
InChI (mnx)InChI=1/C14H17N3O3/c1-8(15)13(18)17-12(14(19)20)6-9-7-16-11-5-3-2-4-10(9)11/h2-5,7-8,12,16H,6,15H2,1H3,(H,17,18)(H,19,20)/t8?,12? Image of MNXM729883
SMILES (mnx)[CH3:1][CH:8]([C:13](=[N:17][CH:12]([CH2:6][C:9]1=[CH:7][NH:16][C:11]2=[CH:5][CH:3]=[CH:2][CH:4]=[C:10]12)[C:14](=[O:19])[OH:20])[OH:18])[NH2:15]
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:28606
sabiorkM:28606
WUGMRIBZSVSJNP-UHFFFAOYSA-N 		Ala-Trp