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CHEBI:40396 - 1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-VALYL-N-METHYLTYROSYL-LEUCYL)-3-(ARGINYLANYLAMINO)-6-HYDROXY-2-PIPERIDONE

Default Structure
ChEBI IDCHEBI:40396
ChEBI Name1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-VALYL-N-METHYLTYROSYL-LEUCYL)-3-(ARGINYLANYLAMINO)-6-HYDROXY-2-PIPERIDONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC45H72N10O16S
Net Charge0
Average Mass1041.192
Monoisotopic Mass1040.48485
SMILES[H]/N=C(\N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]2([H])C(=O)N([C@]([H])(O[H])C([H])([H])C2([H])[H])[C@@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N(C([H])([H])[H])[C@@]([H])(C([H])([H])c2c([H])c([H])c(O[H])c([H])c2[H])C(=O)N([H])[C@@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(O[H])C([H])([H])OS(=O)(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N1[H]
InChIInChI=1S/C45H72N10O16S/c1-22(2)18-30(51-40(62)33(57)21-70-72(67,68)69)38(60)53-36-25(7)71-44(66)35(24(5)6)52-39(61)31(20-26-11-13-27(56)14-12-26)54(8)43(65)32(19-23(3)4)55-34(58)16-15-29(42(55)64)50-37(59)28(49-41(36)63)10-9-17-48-45(46)47/h11-14,22-25,28-36,56-58H,9-10,15-21H2,1-8H3,(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,60)(H4,46,47,48)(H,67,68,69)/t25-,28+,29+,30-,31+,32+,33-,34-,35+,36+/m1/s1
InChIKeyVVBXXVAFSPEIJQ-CNCNYOROSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-VALYL-N-METHYLTYROSYL-LEUCYL)-3-(ARGINYLANYLAMINO)-6-HYDROXY-2-PIPERIDONE (CHEBI:40396) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-(SULFOGLYCOLOYL-LEUCYL-THREONYL-VALYL-N-METHYLTYROSYL-LEUCYL)-3-(ARGINYLANYLAMINO)-6-HYDROXY-2-PIPERIDONEPDBeChem
(2R)-3-{[(1R)-1-{[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(3-carbamimidamidopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-8-(1-methylethyl)-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]carbamoyl}-3-methylbutyl]amino}-2-hydroxy-3-oxopropyl hydrogen sulfatePDBeChem
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