Chem
J-GLOBAL ID:200907000405181665   Nikkaji number:J679.671K

Cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]

シクロ[L-Thr*-[(3S,4R)-3-ヒドロキシ-4-[(S)-1-メチルプロピル]-γAbu-]-[(2S,4S)-4-ヒドロキシ*-2,5-ジメチル-3-オキソヘキサノイル]-L-Leu-L-Pro-N,O-ジメチル-L-Tyr-]
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C42H65N5O11
Molecular formula furigana: C42-H65-N5-O11
Molecular weight: 816.006
InChI: InChI=1S/C42H65N5O11/c1-11-24(6)35-32(48)21-33(49)58-37(23(4)5)36(50)25(7)38(51)44-29(19-22(2)3)40(53)47-18-12-13-30(47)41(54)46(9)31(20-27-14-16-28(56-10)17-15-27)42(55)57-26(8)34(43)39(52)45-35/h14-17,22-26,29-32,34-35,37,48H,11-13,18-21,43H2,1-10H3,(H,44,51)(H,45,52)/t24-,25-,26+,29?,30-,31?,32-,34-,35?,37?/m0/s1
InChI key: QKWGSNAIKHIQNG-FNBWXDRLSA-N
SMILES: CC[C@H](C)C1NC(=O)[C@@H](N)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)C(CC(C)C)NC(=O)[C@@H](C)C(=O)C(OC(=O)C[C@@H]1O)C(C)C
Systematic name  (4):
  • シクロ[L-Thr*-[(3S,4R)-3-ヒドロキシ-4-[(S)-1-メチルプロピル]-γAbu-]-[(2S,4S)-4-ヒドロキシ*-2,5-ジメチル-3-オキソヘキサノイル]-L-Leu-L-Pro-N,O-ジメチル-L-Tyr-]
  • (2R,3S,6R,7S,11S,13S,16S,19S,22S)-2,13,21-トリメチル-3-アミノ-6-[(1S)-1-メチルプロピル]-7-ヒドロキシ-11-イソプロピル-16-イソブチル-22-(4-メトキシベンジル)-18,19-プロパノ-1,10-ジオキサ-5,15,18,21-テトラアザシクロトリコサン-4,9,12,14,17,20,23-ヘプタオン
  • (3S,6R,7S,10R,11S,15S,17S,20S,25aS)-7-アミノ-10-[(2S)-ブタン-2-イル]-11-ヒドロキシ-3-[(4-メトキシフェニル)メチル]-2,6,17-トリメチル-20-(2-メチルプロピル)-15-(プロパン-2-イル)-ドコサヒドロ-1H-ピロロ[2,1-f]1,15-ジオキサ-4,7,10,20-テトラアザシクロトリコサン-1,4,8,13,16,18,21-ヘプタオン
  • (3S,6R,7S,10R,11S,15S,17S,20S,25aS)-7-amino-10-[(2S)-butan-2-yl]-11-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-15-(propan-2-yl)-docosahydro-1H-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosane-1,4,8,13,16,18,21-heptone
Other name (2):
  • Cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-[(S)-1-methylpropyl]-γAbu-]-[(2S,4S)-4-hydroxy*-2,5-dimethyl-3-oxohexanoyl]-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]
  • (2R,3S,6R,7S,11S,13S,16S,19S,22S)-2,13,21-Trimethyl-3-amino-6-[(1S)-1-methylpropyl]-7-hydroxy-11-isopropyl-16-isobutyl-22-(4-methoxybenzyl)-18,19-propano-1,10-dioxa-5,15,18,21-tetraazacyclotricosane-4,9,12,14,17,20,23-heptone
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