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Concept information

Preferred term

سوروگامید A  

Type

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

Broader concept

charge

  • 0

formula

  • C48H81N9O8

inchi

  • InChI=1S/C48H81N9O8/c1-12-28(7)37-45(62)50-32(11)41(58)54-40(31(10)15-4)48(65)57-39(30(9)14-3)46(63)51-34(23-19-20-24-49)42(59)55-38(29(8)13-2)47(64)53-36(26-33-21-17-16-18-22-33)43(60)52-35(25-27(5)6)44(61)56-37/h16-18,21-22,27-32,34-40H,12-15,19-20,23-26,49H2,1-11H3,(H,50,62)(H,51,63)(H,52,60)(H,53,64)(H,54,58)(H,55,59)(H,56,61)(H,57,65)/t28-,29-,30-,31-,32+,34-,35+,36+,37-,38-,39+,40-/m0/s1

inchikey

  • NPYICXUUGUJPMM-QIUOYRCFSA-N

mass

  • 912.231

monoisotopicmass

  • 911.62081

smiles

  • O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@H]1[C@H](CC)C)=O)C)=O)[C@H](CC)C)=O)CC(C)C)CC2=CC=CC=C2)[C@H](CC)C)CCCCN)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,9S,12R,15S,18R,21R,24S)-3-(4-aminobutyl)-21-benzyl-6,9,15,24-tetrakis[(2S)-butan-2-yl]-12-methyl-18-(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202623

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