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Concept information

Preferred term

NBD N(Me) DKK(بیوتین)بتاA OH  

Type

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

Broader concept

charge

  • 0

formula

  • C36H53N11O12S

has_role

inchi

  • InChI=1S/C36H53N11O12S/c1-46(23-12-13-24(47(57)58)32-31(23)44-59-45-32)25(18-29(51)52)35(55)41-21(8-4-6-15-37)34(54)40-20(33(53)39-17-14-28(49)50)9-5-7-16-38-27(48)11-3-2-10-26-30-22(19-60-26)42-36(56)43-30/h12-13,20-22,25-26,30H,2-11,14-19,37H2,1H3,(H,38,48)(H,39,53)(H,40,54)(H,41,55)(H,49,50)(H,51,52)(H2,42,43,56)/t20-,21-,22?,25-,26?,30?/m0/s1

inchikey

  • IUOZKUSPWNZWPN-PIAVXVASSA-N

mass

  • 863.940

monoisotopicmass

  • 863.35959

smiles

  • O=C(N[C@H](C(N[C@H](C(NCCC(=O)O)=O)CCCCNC(CCCCC1SCC2C1NC(N2)=O)=O)=O)CCCCN)[C@@H](N(C3=CC=C(C=4C3=NON4)[N+]([O-])=O)C)CC(=O)O

subset

  • 3_STAR

synonym EXACT

  • N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-alpha-aspartyl-L-lysyl-N(6)-[5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]-L-lysyl-beta-alanine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139247

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