Concept information
Preferred term
موریدومایسین E
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C39H48N8O12S
inchi
- InChI=1S/C39H48N8O12S/c1-20(46(2)35(54)27-16-22-7-5-9-29(49)25(22)19-40-27)32(34(53)41-18-24-17-30(50)36(59-24)47-12-10-31(51)44-39(47)58)45-33(52)26(11-13-60-3)42-38(57)43-28(37(55)56)15-21-6-4-8-23(48)14-21/h4-10,12,14,18,20,26-28,30,32,36,40,48-50H,11,13,15-17,19H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b24-18-/t20-,26+,27+,28+,30-,32-,36-/m0/s1
inchikey
- RFAFKGRDICXXEY-MIFMJFJZSA-N
mass
- 852.920
monoisotopicmass
- 852.31124
smiles
- S(CC[C@@H](NC(=O)N[C@@H](C(=O)O)CC1=CC(O)=CC=C1)C(=O)N[C@H](C(=O)N/C=C/2/O[C@H](N3C(=O)NC(=O)C=C3)[C@H](C2)O)[C@@H](N(C(=O)[C@@H]4NCC=5C(O)=CC=CC5C4)C)C)C
subset
- 2_STAR
synonym EXACT
- (2R)-2-[[(2R)-1-[[(2S,3S)-1-[[(Z)-[(4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[[(3R)-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:221127
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