Chem
J-GLOBAL ID：200907048441369878   Nikkaji number：J1.328.556J

N-Boc-Cyclo[L-Thr*-[(3S,4R)-3-(triisopropylsiloxy)-4-[(S)-1-methylpropyl]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]

N-Boc-シクロ[L-Thr*-[(3S,4R)-3-(トリイソプロピルシロキシ)-4-[(S)-1-メチルプロピル]-γAbu-]-L-Hmb-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： C53H89N5O12Si
Molecular formula furigana： C53-H89-N5-O12-SI
Molecular weight： 1016.403
InChI： InChI=1S/C53H89N5O12Si/c1-19-35(12)44-42(70-71(32(6)7,33(8)9)34(10)11)29-43(59)68-46(31(4)5)48(61)54-39(27-30(2)3)49(62)58-26-20-21-40(58)50(63)57(17)41(28-37-22-24-38(66-18)25-23-37)51(64)67-36(13)45(47(60)55-44)56-52(65)69-53(14,15)16/h22-25,30-36,39-42,44-46H,19-21,26-29H2,1-18H3,(H,54,61)(H,55,60)(H,56,65)/t35-,36+,39-,40-,41?,42?,44+,45-,46?/m0/s1
InChI key： QPHPVTFLIDOWIE-NSSRXRSZSA-N
SMILES： CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)C(OC(=O)CC1O[Si](C(C)C)(C(C)C)C(C)C)C(C)C
Systematic name  (4)：
  • N-Boc-シクロ[L-Thr*-[(3S,4R)-3-(トリイソプロピルシロキシ)-4-[(S)-1-メチルプロピル]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-ジメチル-L-Tyr-]
  • N-(tert-ブトキシカルボニル)シクロ[L-Thr*-[(3S,4R)-3-(トリイソプロピルシロキシ)-4-[(S)-sec-ブチル]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-ジメチル-L-Tyr-]
  • tert-ブチル N-[(3S,6R,7S,10R,11S,15S,18S,23aS)-10-[(2S)-ブタン-2-イル]-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-15-(プロパン-2-イル)-11-{[トリス(プロパン-2-イル)シリル]オキシ}-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]カルバマート
  • tert-butyl N-[(3S,6R,7S,10R,11S,15S,18S,23aS)-10-[(2S)-butan-2-yl]-3-[(4-methoxyphenyl)methyl]-2,6-dimethyl-18-(2-methylpropyl)-1,4,8,13,16,19-hexaoxo-15-(propan-2-yl)-11-{[tris(propan-2-yl)silyl]oxy}-icosahydro-1H-pyrrolo[1,2-g]1,13-dioxa-4,7,10,17-tetraazacyclohenicosan-7-yl]carbamate
Other name (2)：
  • N-Boc-Cyclo[L-Thr*-[(3S,4R)-3-(triisopropylsiloxy)-4-[(S)-1-methylpropyl]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]
  • N-(tert-Butoxycarbonyl)cyclo[L-Thr*-[(3S,4R)-3-(triisopropylsiloxy)-4-[(S)-sec-butyl]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-]
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