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Concept information

Preferred term

TMC 2A  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34N4O9

inchi

  • InChI=1S/C28H34N4O9/c1-41-25-23(35)9-15-8-22(26(37)31-21(28(39)40)6-14(12-33)13-34)32(11-18(15)24(25)36)27(38)19(29)7-16-10-30-20-5-3-2-4-17(16)20/h2-5,9-10,14,19,21-22,30,33-36H,6-8,11-13,29H2,1H3,(H,31,37)(H,39,40)/t19-,21-,22-/m0/s1

inchikey

  • ODKDMMTXTVCCLJ-BVSLBCMMSA-N

mass

  • 570.599

monoisotopicmass

  • 570.23258

smiles

  • O=C(N[C@H](C(=O)O)CC(CO)CO)[C@H]1N(C(=O)[C@@H](N)CC=2C3=C(C=CC=C3)NC2)CC=4C(O)=C(OC)C(=CC4C1)O

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199513

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