Chem
J-GLOBAL ID:200907028226374975
Nikkaji number:J1.273.722J
(-)-Tamandarin B
(-)-タマンダリンB
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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:
C53 H83 N7 O14
Molecular formula furigana:
C53-H83-N7-O14
Molecular weight:
1042.281
InChI:
InChI=1S/C53H83N7O14/c1-28(2)24-36-50(68)60-23-15-17-38(60)52(70)58(12)40(26-34-18-20-35(72-13)21-19-34)53(71)73-33(10)44(47(65)55-43(30(5)6)41(62)27-42(63)74-45(31(7)8)48(66)54-36)56-46(64)39(25-29(3)4)57(11)51(69)37-16-14-22-59(37)49(67)32(9)61/h18-21,28-33,36-41,43-45,61-62H,14-17,22-27H2,1-13H3,(H,54,66)(H,55,65)(H,56,64)/t32-,33+,36-,37-,38-,39+,40-,41-,43+,44-,45?/m0/s1
InChI key:
VFCVQRSICIMDEG-YTBMDPTJSA-N
SMILES:
COc1ccc(C[C@@H]2N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)C(OC(=O)C[C@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)[C@H](C)O)[C@@H](C)OC2=O)C(C)C)C(C)C)cc1
Systematic name (3):
N-(L-Lac-L-Pro-N-メチル-D-Leu-)シクロ[L-Thr*-[(3S,4R)-3-ヒドロキシ-4-イソプロピル-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-ジメチル-L-Tyr-]
(2R)-N-[(3S,6R,7S,10R,11S,15S,18S,23aS)-11-ヒドロキシ-3-[(4-メトキシフェニル)メチル]-2,6-ジメチル-18-(2-メチルプロピル)-1,4,8,13,16,19-ヘキサオキソ-10,15-ビス(プロパン-2-イル)-イコサヒドロ-1H-ピロロ[1,2-g]1,13-ジオキサ-4,7,10,17-テトラアザシクロヘンイコサン-7-イル]-2-{1-[(2S)-1-[(2S)-2-ヒドロキシプロパノイル]ピロリジン-2-イル]-N-メチルホルムアミド}-4-メチルペンタンアミド
(2R)-N-[(3S,6R,7S,10R,11S,15S,18S,23aS)-11-hydroxy-3-[(4-methoxyphenyl)methyl]-2,6-dimethyl-18-(2-methylpropyl)-1,4,8,13,16,19-hexaoxo-10,15-bis(propan-2-yl)-icosahydro-1H-pyrrolo[1,2-g]1,13-dioxa-4,7,10,17-tetraazacyclohenicosan-7-yl]-2-{1-[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]-N-methylformamido}-4-methylpentanamide
Other name (5):
N-(L-Lac-L-Pro-N-Methyl-D-Leu-)cyclo[L-Thr*-[(3S,4R)-3-hydroxy-4-isopropyl-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]
タマンダリンB
Tamandarin B
(-)-タマンダリンB
(-)-Tamandarin B
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