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Asp-Asp-Ile

PropertiesImage
MNX_IDMNXM1123017 Image of MNXM1123017
referencechebi:160415
formulaC14H23N3O8
global charge0
mol weight361.351
InChIKeyTVVYVAUGRHNTGT-UGYAYLCHSA-N
InChIInChI=1S/C14H23N3O8/c1-3-6(2)11(14(24)25)17-13(23)8(5-10(20)21)16-12(22)7(15)4-9(18)19/h6-8,11H,3-5,15H2,1-2H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C14H23N3O8/c1-3-6(2)11(14(24)25)17-13(23)8(5-10(20)21)16-12(22)7(15)4-9(18)19/h6-8,11H,3-5,15H2,1-2H3,(H,16,22)(H,17,23)(H,18,19)(H,20,21)(H,24,25)/t6-,7-,8-,11-/m0/s1 Image of MNXM1123017
SMILES (mnx)[CH3:1][CH2:3][C@H:6]([CH3:2])[C@@H:11]([C:14](=[O:24])[OH:25])[N:17]=[C:13]([C@H:8]([CH2:5][C:10](=[O:20])[OH:21])[N:16]=[C:12]([C@H:7]([CH2:4][C:9](=[O:18])[OH:19])[NH2:15])[OH:22])[OH:23]
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:160415
chebi:160415
TVVYVAUGRHNTGT-UGYAYLCHSA-N
Asp-Asp-Ile
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid