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Asp-Val-Ser

PropertiesImage
MNX_IDMNXM1123655 Image of MNXM1123655
referencechebi:161057
formulaC12H21N3O7
global charge0
mol weight319.314
InChIKeyQOJJMJKTMKNFEF-ZKWXMUAHSA-N
InChIInChI=1S/C12H21N3O7/c1-5(2)9(11(20)14-7(4-16)12(21)22)15-10(19)6(13)3-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t6-,7-,9-/m0/s1
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
MNX internals
InChI (mnx)InChI=1/C12H21N3O7/c1-5(2)9(11(20)14-7(4-16)12(21)22)15-10(19)6(13)3-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t6-,7-,9-/m0/s1 Image of MNXM1123655
SMILES (mnx)[CH3:1][CH:5]([CH3:2])[C@@H:9]([C:11](=[N:14][C@@H:7]([CH2:4][OH:16])[C:12](=[O:21])[OH:22])[OH:20])[N:15]=[C:10]([C@H:6]([CH2:3][C:8](=[O:17])[OH:18])[NH2:13])[OH:19]
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:161057
chebi:161057
QOJJMJKTMKNFEF-ZKWXMUAHSA-N
Asp-Val-Ser
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid