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chloropeptin II

Properties

Image

Occurences in reactions

MNX_ID

MNXM103779

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₆₁H₄₅Cl₆N₇O₁₅

charge

mass

1325.11048

reference

chebi:65619

InChIKey

JJGZGELTZPACID-OTLJHNKQSA-N

InChI

InChI=1S/C61H45Cl6N7O15/c1-74-44(56(82)73-49(61(87)88)25-4-7-32(75)8-5-25)12-24-2-9-33(10-3-24)89-45-22-27-13-35(51(45)77)26-6-11-34-31(23-68-42(34)20-26)21-43(69-59(85)50(76)30-18-40(66)54(80)41(67)19-30)55(81)70-47(28-14-36(62)52(78)37(63)15-28)57(83)71-46(27)58(84)72-48(60(74)86)29-16-38(64)53(79)39(65)17-29/h2-11,13-20,22-23,43-44,46-49,68,75,77-80H,12,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t43-,44+,46-,47-,48-,49-/m1/s1

SMILES

CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3c[nH]c4cc(ccc34)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:65619 chebi:65619	chloropeptin II Complestatin alpha-(((8,13-bis(3,5-dichloro-4-hydroxyphenyl)-5-(((3,5-dichloro-4-hydroxyphenyl)oxoacetyl)amino)-2,4,5,6,7,8,9,10,10a,11,12,13,14,15,16,17-hexadecahydro-31-hydroxy-15-methyl-6,9,11,14-tetraoxo-18,21-etheno-1,27:23,26-dimethenopyrrolo(3',4':12,13)(1,4)diazacyclohexadecino(6,5-d)(1,7,10)oxadiazacyclohexadecin-16-yl)carbonyl)amino)-4-hydroxyphenylacetic acid
seed.compound:cpd11336 seedM:cpd11336 kegg.compound:C15695 keggC:C15695	Complestatin Chloropeptin II
CHEBI:66093 chebi:66093	isocomplestatin (2R)-({[(17R,20R,23R,26R,29S)-20,26-bis(3,5-dichloro-4-hydroxyphenyl)-17-{[(3,5-dichloro-4-hydroxyphenyl)(oxo)acetyl]amino}-37-hydroxy-28-methyl-18,21,24,27-tetraoxo-2-oxa-13,19,22,25,28-pentaazahexacyclo[29.2.2.1(3,7).1(8,12).0(5,23).0(11,15)]heptatriaconta-1(33),3(37),4,6,8(36),9,11,14,31,34-decaen-29-yl]carbonyl}amino)(4-hydroxyphenyl)acetic acid
keggC:M_C15695 seedM:M_cpd11336	secondary/obsolete/fantasy identifier