Concept information
Preferred term
Cavinafungin B
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C40H71N5O8
inchi
- InChI=1S/C40H71N5O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(49)43-36(31(6)48)40(53)45-26-29(4)25-33(45)38(51)44-35(28(2)3)39(52)42-32(23-24-46)37(50)41-30(5)27-47/h14-15,27-33,35-36,46,48H,7-13,16-26H2,1-6H3,(H,41,50)(H,42,52)(H,43,49)(H,44,51)/b15-14-/t29-,30+,31-,32+,33+,35+,36+/m1/s1
inchikey
- CZLLOPRJUYUCQD-AFRNNPFGSA-N
mass
- 750.035
monoisotopicmass
- 749.53026
smiles
- O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C=O)C)CCO)C(C)C)[C@H]1N(C(=O)[C@@H](NC(=O)CCCCCCC/C=C/CCCCCCCC)[C@H](O)C)C[C@@H](C1)C
subset
- 2_STAR
synonym EXACT
- (2S,4R)-1-[(2S,3R)-3-hydroxy-2-[[(Z)-octadec-9-enoyl]amino]butanoyl]-N-[(2S)-1-[[(2S)-4-hydroxy-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpyrrolidine-2-carboxamide
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:213850
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