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Ala-Phe-Ala

PropertiesImage
MNX_IDMNXM1121016 Image of MNXM1121016
referencechebi:158403
formulaC15H21N3O4
global charge0
mol weight307.35
InChIKeyXRUJOVRWNMBAAA-NHCYSSNCSA-N
InChIInChI=1S/C15H21N3O4/c1-9(16)13(19)18-12(8-11-6-4-3-5-7-11)14(20)17-10(2)15(21)22/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t9-,10-,12-/m0/s1
SMILESC[C@H](N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C15H21N3O4/c1-9(16)13(19)18-12(8-11-6-4-3-5-7-11)14(20)17-10(2)15(21)22/h3-7,9-10,12H,8,16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t9-,10-,12-/m0/s1 Image of MNXM1121016
SMILES (mnx)[CH3:1][C@@H:9]([C:13](=[N:18][C@@H:12]([CH2:8][C:11]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[C:14](=[N:17][C@@H:10]([CH3:2])[C:15](=[O:21])[OH:22])[OH:20])[OH:19])[NH2:16]
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:158403
chebi:158403
XRUJOVRWNMBAAA-NHCYSSNCSA-N 		Ala-Phe-Ala
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
hmdb:HMDB0304795
XRUJOVRWNMBAAA-UHFFFAOYSA-N 		Ala-Phe-Ala
2-({2-[(2-amino-1-hydroxypropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)propanoate
2-({2-[(2-amino-1-hydroxypropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)propanoic acid