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Concept information

Preferred term

سئونگسانامید سی  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C53H78N8O12

inchi

  • InChI=1S/C53H78N8O12/c1-12-14-43(63)55-36(21-27(3)4)47(65)54-31(10)46(64)56-39-24-33-15-18-35(19-16-33)73-42-26-34(17-20-41(42)62)25-40-53(71)72-32(11)45(61-50(39)68)52(70)58-37(22-28(5)6)48(66)57-38(23-29(7)8)49(67)60-44(30(9)13-2)51(69)59-40/h15-20,26-32,36-40,44-45,62H,12-14,21-25H2,1-11H3,(H,54,65)(H,55,63)(H,56,64)(H,57,66)(H,58,70)(H,59,69)(H,60,67)(H,61,68)/t30-,31+,32+,36-,37+,38-,39+,40-,44-,45-/m0/s1

inchikey

  • KBKMUXNIVWGYJS-LAVOEFAISA-N

mass

  • 1019.251

monoisotopicmass

  • 1018.57392

smiles

  • O=C1N[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)CC3=CC(OC4=CC=C(C[C@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCC)CC(C)C)C)C=C4)=C(O)C=C3)=O)[C@H](CC)C)CC(C)C)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-(butanoylamino)-N-[(2R)-1-[[(1S,14R,17S,20R,23S,26S,31R)-26-[(2S)-butan-2-yl]-6-hydroxy-31-methyl-20,23-bis(2-methylpropyl)-15,18,21,24,27,29-hexaoxo-8,30-dioxa-16,19,22,25,28-pentazatetracyclo[15.11.3.29,12.13,7]tetratriaconta-3(34),4,6,9(33),10,12(32)-hexaen-14-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208375

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