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Concept information

Preferred term

TMC 2B  

Type

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

Broader concept

charge

  • 0

formula

  • C28H34N4O8

inchi

  • InChI=1S/C28H34N4O8/c1-14(13-33)7-21(28(38)39)31-26(36)22-9-15-10-23(34)25(40-2)24(35)18(15)12-32(22)27(37)19(29)8-16-11-30-20-6-4-3-5-17(16)20/h3-6,10-11,14,19,21-22,30,33-35H,7-9,12-13,29H2,1-2H3,(H,31,36)(H,38,39)/t14?,19-,21-,22-/m0/s1

inchikey

  • WVYIXBYYAHYOIW-KQNCPTOESA-N

mass

  • 554.600

monoisotopicmass

  • 554.23766

smiles

  • O=C(N[C@H](C(=O)O)CC(CO)C)[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-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199570

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