Concept information
Preferred term
(3S,9S,14aR) 9 بنزیل 6,6 دی متیل 3 (6 oxooctyl) decahydro pyrrolo[1,2 a][1,4,7,10]tetraazacyclododecin 1,4,7,10 تتراون
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H40N4O5
inchi
- InChI=1S/C28H40N4O5/c1-4-20(33)14-9-6-10-15-21-24(34)31-28(2,3)27(37)30-22(18-19-12-7-5-8-13-19)26(36)32-17-11-16-23(32)25(35)29-21/h5,7-8,12-13,21-23H,4,6,9-11,14-18H2,1-3H3,(H,29,35)(H,30,37)(H,31,34)/t21-,22-,23+/m0/s1
inchikey
- HNGIDTWZBOOVGG-RJGXRXQPSA-N
mass
- 512.651
monoisotopicmass
- 512.29987
smiles
- O=C1N[C@H](C(=O)N2[C@@H](C(=O)N[C@H](C(NC1(C)C)=O)CCCCCC(=O)CC)CCC2)CC3=CC=CC=C3
subset
- 2_STAR
synonym EXACT
- (3S,9S,12R)-3-benzyl-6,6-dimethyl-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:200158
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