Chem
J-GLOBAL ID：200907076301712827   Nikkaji number：J579.211H

BW-2258U-89

BW-2258U-89
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： C57H72N14O8
Molecular formula furigana： C57-H72-N14-O8
Molecular weight： 1081.293
InChI： InChI=1S/C57H72N14O8/c1-34(2)50(56(78)66-35(3)52(74)69-48(27-41-30-60-33-64-41)57(79)71-23-13-18-42(71)31-62-45(51(58)73)24-38-16-9-6-10-17-38)70-53(75)36(4)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-32-63-40)67-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,32-36,42,45-48,50,61-62H,13,18,21-27,31H2,1-4H3,(H2,58,73)(H,59,63)(H,60,64)(H,65,76)(H,66,78)(H,67,72)(H,68,77)(H,69,74)(H,70,75)/t35-,36+,42-,45+,46+,47+,48+,50+/m1/s1
InChI key： XLYQOKWAPHMGLO-XVRZORJCSA-N
SMILES： CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (4)：
  • Nα-(1-オキソ-3-フェニルプロピル)-L-His-L-Trp-L-Ala-L-Val-D-Ala-[(S)-2-[(2R)-2-[[[(S)-2-アミノ-2-オキソ-1-ベンジルエチル]アミノ]メチル]-1-ピロリジニル]-1-[(1H-イミダゾール-4-イル)メチル]-2-オキソエチル]NH2
  • Nα-(3-フェニルプロピオニル)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
  • (2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-カルバモイル-2-フェニルエチル]アミノ}メチル)ピロリジン-1-イル]-3-(1H-イミダゾール-4-イル)-1-オキソプロパン-2-イル]カルバモイル}エチル]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-イミダゾール-4-イル)-2-(3-フェニルプロパンアミド)プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]プロパンアミド]-3-メチルブタンアミド
  • (2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-carbamoyl-2-phenylethyl]amino}methyl)pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}ethyl]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-(3-phenylpropanamido)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-methylbutanamide
Other name (3)：
  • BW-2258U-89
  • Nα-(3-Phenylpropionyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
  • Nα-(1-Oxo-3-phenylpropyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-[(S)-2-[(2R)-2-[[[(S)-2-amino-2-oxo-1-benzylethyl]amino]methyl]-1-pyrrolidinyl]-1-[(1H-imidazol-4-yl)methyl]-2-oxoethyl]NH2
CAS registry number： 142061-53-8
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM