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Concept information

Preferred term

actinoramide b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48N6O9

inchi

  • InChI=1S/C32H48N6O9/c1-18(2)27(41)26(36-25(40)17-47-5)32(46)38-24(12-9-14-33-38)30(44)35-23(16-21-10-7-6-8-11-21)28(42)19(3)29(43)34-22-13-15-37(20(4)39)31(22)45/h6-8,10-11,18-19,22-24,26-28,33,41-42H,9,12-17H2,1-5H3,(H,34,43)(H,35,44)(H,36,40)/t19-,22-,23-,24-,26+,27+,28-/m0/s1

inchikey

  • AEHYYRHLFKWEDT-SZUFJOJHSA-N

mass

  • 660.769

monoisotopicmass

  • 660.34828

smiles

  • O=C1N(C(=O)C)CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@@H](NC(=O)[C@H]2N(NCCC2)C(=O)[C@H](NC(=O)COC)[C@H](O)C(C)C)CC3=CC=CC=C3)C

subset

  • 2_STAR

synonym EXACT

  • (3S)-N-[(2S,3S,4S)-5-[[(3S)-1-acetyl-2-oxopyrrolidin-3-yl]amino]-3-hydroxy-4-methyl-5-oxo-1-phenylpentan-2-yl]-2-[(2R,3R)-3-hydroxy-2-[(2-methoxyacetyl)amino]-4-methylpentanoyl]diazinane-3-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198046

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