Concept information
Preferred term
Birinapant
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C42H56F2N8O6
inchi
- InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1
inchikey
- PKWRMUKBEYJEIX-DXXQBUJASA-N
mass
- 806.957
monoisotopicmass
- 806.42909
smiles
- FC1=CC=2NC(=C(C[C@H]3N(C[C@@H](O)C3)C(=O)[C@@H](NC(=O)[C@@H](NC)C)CC)C2C=C1)C=4NC5=C(C4C[C@H]6N(C[C@@H](O)C6)C(=O)[C@@H](NC(=O)[C@@H](NC)C)CC)C=CC(F)=C5
subset
- 2_STAR
synonym EXACT
- (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-luoro-2-[6-luoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:177705
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