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CHEBI:230095 - Dpvdavp

Default Structure
ChEBI IDCHEBI:230095
ChEBI NameDpvdavp
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H69N13O11S2
Net Charge0
Average Mass1068.294
Monoisotopic Mass1067.46809
SMILESCC(C)C1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(O)cc2)NC(=O)CC(C)(C)SSCC(C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC1=O
InChIInChI=1S/C48H69N13O11S2/c1-26(2)39-45(71)58-33(22-36(49)63)42(68)59-34(46(72)61-19-9-13-35(61)44(70)56-30(12-8-18-53-47(51)52)40(66)54-24-37(50)64)25-73-74-48(3,4)23-38(65)55-31(21-28-14-16-29(62)17-15-28)41(67)57-32(43(69)60-39)20-27-10-6-5-7-11-27/h5-7,10-11,14-17,26,30-35,39,62H,8-9,12-13,18-25H2,1-4H3,(H2,49,63)(H2,50,64)(H,54,66)(H,55,65)(H,56,70)(H,57,67)(H,58,71)(H,59,68)(H,60,69)(H4,51,52,53)
InChIKeyCKIJDBDQGBFBFJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Dpvdavp (CHEBI:230095) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-20,20-dimethyl-6,9,12,15,18-pentaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
2339124ChemSpider
HMDB0251616HMDB