CHEBI:210919 - Cystobactamid 919-2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cystobactamid 919-2
ChEBI ID CHEBI:210919
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H45N7O14
Net Charge 0
Average Mass 919.901
Monoisotopic Mass 919.30245
InChI InChI=1S/C46H45N7O14/c1-23(2)66-35-22-28(46(61)62)12-20-33(35)50-44(59)32-19-21-34(38(37(32)54)67-24(3)4)51-42(57)25-6-15-30(16-7-25)49-45(60)36(39(65-5)40(47)55)52-43(58)26-8-13-29(14-9-26)48-41(56)27-10-17-31(18-11-27)53(63)64/h6-24,36,39,54H,1-5H3,(H2,47,55)(H,48,56)(H,49,60)(H,50,59)(H,51,57)(H,52,58)(H,61,62)/t36-,39+/m0/s1
InChIKey HPDAHGRYYHSHHB-YFXFWNCGSA-N
SMILES O=[N+]([O-])C1=CC=C(C(=O)NC2=CC=C(C(=O)N[C@H](C(=O)NC3=CC=C(C(=O)NC4=C(OC(C)C)C(O)=C(C(=O)NC5=C(OC(C)C)C=C(C(=O)O)C=C5)C=C4)C=C3)[C@@H](OC)C(=O)N)C=C2)C=C1
Metabolite of Species Details
Cystobacterspecies Cbv34 (NCBI:txid1679164) See: PubMed
ChEBI Ontology
Outgoing Cystobactamid 919-2 (CHEBI:210919) is a benzamides (CHEBI:22702)
IUPAC Name
4-[[4-[[4-[[(2S,3R)-4-amino-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid
Manual Xref Database
76779031 ChemSpider
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