Chem
J-GLOBAL ID：200907042290388001   Nikkaji number：J347.046F

BDNL

BDNL
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： C52H69N9O15S
Molecular formula furigana： C52-H69-N9-O15-S
Molecular weight： 1092.230
InChI： InChI=1S/C52H69N9O15S/c1-6-8-18-37(57-48(68)40(61-51(71)75-52(3,4)5)26-32-21-23-34(24-22-32)76-77(72,73)74)46(66)55-30-43(62)56-41(27-33-29-54-36-20-14-13-17-35(33)36)49(69)58-38(19-9-7-2)47(67)60-42(28-44(63)64)50(70)59-39(45(53)65)25-31-15-11-10-12-16-31/h10-17,20-24,29,37-42,54H,6-9,18-19,25-28,30H2,1-5H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t37-,38-,39-,40-,41-,42-/m0/s1
InChI key： CSXIDZJPJYRGSK-UJKKYYSESA-N
SMILES： CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (4)：
  • N-[(1,1-ジメチルエトキシ)カルボニル]-O-スルホ-L-Tyr-L-Nle-Gly-L-Trp-L-Nle-L-αAsp-L-Phe-NH2
  • Boc-O-スルホ-L-Tyr-L-Nle-Gly-L-Trp-L-Nle-L-Asp-L-Phe-NH2
  • (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-[4-(スルホオキシ)フェニル]プロパンアミド]ヘキサンアミド]アセトアミド}-3-(1H-インドール-3-イル)プロパンアミド]ヘキサンアミド]-3-{[(1S)-1-カルバモイル-2-フェニルエチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(sulfooxy)phenyl]propanamido]hexanamido]acetamido}-3-(1H-indol-3-yl)propanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
Other name (3)：
  • JMV-236
  • Boc-O-Sulfo-L-Tyr-L-Nle-Gly-L-Trp-L-Nle-L-Asp-L-Phe-NH2
  • BDNL
CAS registry number： 98640-66-5
Application (1)：
peptide hormone
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