Concept information
Preferred term
آسپرکریپتین A2
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C37H71N7O8
inchi
- InChI=1S/C37H71N7O8/c1-7-10-12-14-15-16-17-18-20-27(23-45)40-35(50)29(22-30(39)47)42-34(49)28(21-19-13-11-8-2)41-36(51)31(24(4)9-3)43-37(52)32(26(6)46)44-33(48)25(5)38/h24-29,31-32,45-46H,7-23,38H2,1-6H3,(H2,39,47)(H,40,50)(H,41,51)(H,42,49)(H,43,52)(H,44,48)/t24-,25+,26+,27-,28-,29-,31-,32+/m0/s1
inchikey
- RKWVLPAISBWKHV-SYEIMXEMSA-N
mass
- 742.016
monoisotopicmass
- 741.53641
smiles
- O=C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)CCCCCCCCCC)CC(=O)N)CCCCCC)[C@H](CC)C)[C@H](NC(=O)[C@H](N)C)[C@H](O)C
subset
- 2_STAR
synonym EXACT
- (2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]octanoyl]amino]-N-[(2S)-1-hydroxydodecan-2-yl]butanediamide
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:218980
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