Concept information
Preferred term
Bonnevillamide A
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C45H66Cl2N6O14
inchi
- InChI=1S/C45H66Cl2N6O14/c1-20(2)13-30(49-41(59)36(25(9)54)50-40(58)34(56)18-27-16-28(46)38(65-11)29(47)17-27)42(60)52-24(8)35(67-26(10)55)19-32(52)39(57)48-31(14-21(3)4)43(61)53(64)37(22(5)6)44(62)51-23(7)15-33(51)45(63)66-12/h16-18,20-25,30-33,35-37,54,56,64H,13-15,19H2,1-12H3,(H,48,57)(H,49,59)(H,50,58)/t23-,24-,25-,30+,31+,32+,33-,35+,36+,37+/m1/s1
inchikey
- WCRMNPOFZYKXJQ-NKOJTHOISA-N
mass
- 985.950
monoisotopicmass
- 984.40141
smiles
- ClC1=C(OC)C(Cl)=CC(=C1)C=C(O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N(O)[C@H](C(=O)N3[C@@H](C(=O)OC)C[C@H]3C)C(C)C)CC(C)C)C[C@@H]([C@H]2C)OC(=O)C)CC(C)C)[C@H](O)C
subset
- 2_STAR
synonym EXACT
- methyl (2R,4R)-1-[(2S)-2-[[(2S)-2-[[(2S,4S,5R)-4-acetyloxy-1-[(2S)-2-[[(2S,3R)-2-[[3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]-4-methylazetidine-2-carboxylate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:212781
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