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dapdiamide E

MNXM146543 is deprecated and here replaced by MNXM728866
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM728866 Image of MNXM728866
referencechebi:84912
formulaC12H20N4O6
global charge0
mol weight316.314
InChIKeyBQMJFERCSPVSGR-RULNZFCNSA-N
InChIInChI=1S/C12H20N4O6/c1-4(2)6(12(20)21)16-10(18)5(3-13)15-11(19)8-7(22-8)9(14)17/h4-8H,3,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t5-,6-,7+,8+/m0/s1
SMILESCC(C)[C@H](NC(=O)[C@H](C[NH3+])NC(=O)[C@@H]1O[C@H]1C(N)=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H20N4O6/c1-4(2)6(12(20)21)16-10(18)5(3-13)15-11(19)8-7(22-8)9(14)17/h4-8H,3,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t5-,6-,7+,8+/m0/s1 Image of MNXM728866
SMILES (mnx)[CH3:1][CH:4]([CH3:2])[C@@H:6]([C:12](=[O:20])[OH:21])[N:16]=[C:10]([C@H:5]([CH2:3][NH2:13])[N:15]=[C:11]([C@H:8]1[C@H:7]([C:9](=[NH:14])[OH:17])[O:22]1)[OH:19])[OH:18]
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

CHEBI:84912
chebi:84912
BQMJFERCSPVSGR-RULNZFCNSA-N 		dapdiamide E
(2S)-2-({3-azaniumyl-N-[(2R*,3R*)-3-carbamoyloxirane-2-carbonyl]-L-alanyl}amino)-3-methylbutanoate
3-[[[(2R*,3R*)-3-carboxyoxiran-2-yl]carbonyl]amino]-L-alanyl-L-valine
dapdiamide E zwitterion

CHEBI:85337
chebi:85337
BQMJFERCSPVSGR-RULNZFCNSA-N 		dapdiamide E
3-amino-N-[(2R*,3R*)-3-carbamoyloxirane-2-carbonyl]-L-alanyl-L-valine