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isonocardicin C

PropertiesImage
MNX_IDMNXM58059 Image of MNXM58059
referencechebi:131920
formulaC23H26N4O8
global charge0
mol weight486.481
InChIKeyCWTCWGGPTVMMLT-INDMIFKZSA-N
InChIInChI=1S/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)/t16-,17-,18+,19+/m0/s1
SMILES[NH3+][C@@H](C(=O)N[C@H]1CN([C@@H](C(=O)[O-])C2=CC=C(O)C=C2)C1=O)C1=CC=C(OCC[C@H]([NH3+])C(=O)[O-])C=C1
MNX internals
InChI (mnx)InChI=1/C23H26N4O8/c24-16(22(31)32)9-10-35-15-7-3-12(4-8-15)18(25)20(29)26-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-19,28H,9-11,24-25H2,(H,26,29)(H,31,32)(H,33,34)/t16-,17-,18+,19+/m0/s1 Image of MNXM58059
SMILES (mnx)[CH:1]1=[CH:5][C:14]([OH:28])=[CH:6][CH:2]=[C:13]1[C@H:19]([C:23](=[O:33])[OH:34])[N:27]1[CH2:11][C@H:17]([N:26]=[C:20]([C@@H:18]([C:12]2=[CH:4][CH:8]=[C:15]([O:35][CH2:10][CH2:9][C@@H:16]([C:22](=[O:31])[OH:32])[NH2:24])[CH:7]=[CH:3]2)[NH2:25])[OH:29])[C:21]1=[O:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:131920
chebi:131920
CWTCWGGPTVMMLT-INDMIFKZSA-N 		isonocardicin C
(2S)-2-azaniumyl-4-{4-[(1R)-1-azaniumyl-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-2-oxoethyl]phenoxy}butanoate
isonocardicin C dizwitterion

kegg.compound:C17352
keggC:C17352
CWTCWGGPTVMMLT-INDMIFKZSA-N 		Isonocardicin C

seed.compound:cpd17486
seedM:cpd17486
CWTCWGGPTVMMLT-INDMIFKZSA-N 		Isonocardicin C
(2S)-2-amino-4-{4-[(R)-amino({[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl})methyl]phenoxy}butanoate
isonocardicin C

metacyc.compound:CPD-9416
metacycM:CPD-9416
CWTCWGGPTVMMLT-INDMIFKZSA-N 		isonocardicin C
(2S)-2-amino-4-{4-[(R)-amino({[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl})methyl]phenoxy}butanoate

CHEBI:81022
chebi:81022
CWTCWGGPTVMMLT-INDMIFKZSA-N 		isonocardicin C
O-{4-[(1R)-1-amino-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-2-oxoethyl]phenyl}-L-homoserine

keggC:M_C17352
seedM:M_cpd17486 		secondary/obsolete/fantasy identifier