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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

ac-cha-arg-tic-haic-ser-meleu-nh2  

Type

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

Broader concept

charge

  • 0

formula

  • C50H71N11O9

inchi

  • InChI=1S/C50H71N11O9/c1-28(2)22-39(43(51)64)59(4)47(68)38(27-62)58-46(67)41-25-33-17-10-16-31-19-20-36(49(70)61(41)42(31)33)57-45(66)40-24-32-14-8-9-15-34(32)26-60(40)48(69)35(18-11-21-54-50(52)53)56-44(65)37(55-29(3)63)23-30-12-6-5-7-13-30/h8-10,14-17,28,30,35-41,62H,5-7,11-13,18-27H2,1-4H3,(H2,51,64)(H,55,63)(H,56,65)(H,57,66)(H,58,67)(H4,52,53,54)/t35-,36?,37-,38-,39-,40-,41?/m0/s1

inchikey

  • JWVRQMNPHOQVEB-DACKJHRPSA-N

mass

  • 970.16700

monoisotopicmass

  • 969.54362

smiles

  • CC(C)C[C@H](N(C)C(=O)[C@H](CO)NC(=O)C1Cc2cccc3CCC(NC(=O)[C@@H]4Cc5ccccc5CN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC4CCCCC4)NC(C)=O)C(=O)N1c23)C(N)=O

subset

  • 3_STAR

synonym EXACT

  • N-{[5-({[(3S)-2-(N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}amino)-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-hi]indol-2-yl]carbonyl}-L-seryl-N(2)-methyl-L-leucinamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:60964

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