Chemical Compound

2-[(3R,6S,9R,12R,17aS)-9-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-1,4,7,10,13-pentaoxo-3-(propan-2-yl)-hexadecahydro-1H-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-12-yl]acetic acid

CAS Registry Number 136553-81-6
2-[(3R,6S,9R,12R,17aS)-9-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-1,4,7,10,13-pentaoxo-3-(propan-2-yl)-hexadecahydro-1H-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-12-yl]acetic acid 结构式
Primary record

2-[(3R,6S,9R,12R,17aS)-9-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-1,4,7,10,13-pentaoxo-3-(propan-2-yl)-hexadecahydro-1H-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-12-yl]acetic acid

库存
7,190 克
纯度
98.8 %
CAS
136553-81-6

化合物标识与属性

CAS
136553-81-6
PubChem CID
443289
SMILES
CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43
Canonical SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O

名称与同义词

  • BQ-123
  • 136553-81-6
  • BQ123
  • Cyclo(D-trp-D-asp-pro-D-val-leu)
  • cyclo(Trp-Asp-Pro-Val-Leu)
  • BQ 123
  • BQ-123 sodium salt
  • AC1L9EDH
  • RefChem:121190
  • S2A8YZM151
  • UNII-S2A8YZM151
  • BQ-123SODIUMSALT
  • D09LQK
  • CHEBI:2965
  • CHEMBL314691
  • C31H42N6O7
  • GTPL997
  • DTXSID70929476
  • orb1300461
  • SCHEMBL1290617
  • SCHEMBL29388467
  • MFCD00133204
  • DTXCID401358224
  • EX-A4062
  • ZINC3926620
  • BDBM50197954
  • BQ-518
  • CID443289
  • cyclo(D-Asp-Pro-D-Val-Leu-D-Trp)
  • cyclo[D-Trp-D-Asp-Pro-D-Val-Leu]
  • HB3213
  • s7883
  • AKOS030526454
  • C31-H42-N6-O7
  • cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu)
  • cyclo-(D-Asp-Pro-D-Val-Leu-D-Trp)
  • cyclo-(D-Trp-D-Asp-Pro-D-Val-Leu)
  • cyclo-[D-Asp-Pro-d-Val-Leu-d-Trp]
  • 136553-81-6 (salt-free form)
  • BAT-010810
  • BQ-123?
  • CCG-270231
  • CID:443289
  • CS-5694
  • Cyclo(D-Trp-D-Asp-Pro-D-Val-Leu-)
  • DB12054
  • BQ-123, >=99%, lyophilized powder
  • cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu-)
  • cyclo-(-D-Trp-D-Asp-Pro-D-Val-Leu)
  • cyclo[-D-Asp-Pro-D-Val-Leu-D-Trp-]
  • Cyclo(D-trp-D-asp-L-pro-D-val-L-leu)
  • Cyclo[D-trp-D-asp-L-pro-D-val-L-leu]
  • AC-36502
  • BC600813
  • BS-15415
  • cyclo(D-Asp-L-Pro-D-Val-L-Leu-D-Trp)
  • cyclo(L-Leu-D-Trp-D-Asp-L-Pro-D-Val)
  • cyclo(L-Pro-D-Val-L-Leu-D-Trp-D-Asp)
  • cyclo[(D)Trp-(D)Asp-Pro-(D)Val-Leu]
  • cyclo[D-Asp-L-Pro-D-Val-L-Leu-D-Trp]
  • DA-51362
  • FB108394
  • HY-12378
  • SID:53789162
  • cyclo(-D-Trp-D-Asp-L-Pro-D-Val-L-Leu)
  • Cyclo(D-Asp-L-Pro-D-Val-L-Leu-D-Trp-)
  • Cyclo(D-Trp-D-Asp-L-Pro-D-Val-L-Leu-)
  • cyclo-(D-Trp-D-Asp-L-Pro-D-Val-L-Leu)
  • Cyclo[D-Asp-L-Pro-D-Val-L-Leu-D-Trp-]
  • J449.797J
  • B-185
  • B-186
  • cyclo-[D-Asp-L-Pro-D-Val-L-Leu-D-Trp-]
  • FT-0701160
  • NS00069585
  • 2-((3R,6S,9R,12R,17aS)-9-((1H-indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,7,10,13]pentaazacyclopentadecin-12-yl)acetic acid
  • BQ-123 Cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu)
  • C11587
  • C72461
  • Cyclo(D-alphaAsp-L-Pro-D-Val-L-Leu-D-Trp-)
  • A943149
  • C072247
  • Cyclo(D-alpha-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl)
  • 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
  • Q4836304
  • Cyclo(D-a-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl)
  • Cyclo(D-|_-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl)
  • WDPVL (modifications: Trp-1 = D-Trp, Val-4 = D-Val, Cyclized)
  • CYCLO(D-.ALPHA.-ASPARTYL-L-PROLYL-D-VALYL-L-LEUCYL-D-TRYPTOPHYL)
  • [(3R,6S,9R,12R,17AS)-9-(1H-INDOL-3-YLMETHYL)-3-ISOPROPYL-6-(2-METHYLPROPYL)-1,4,7,10,13-PENTAOXO-DODECAHYDROPYRROLO[1,2-A]1,4,7,10,13-PENTAAZACYCLOPENTADECAN-12-YL]ACETIC ACID
  • 136655-57-7
  • 2-((3R,6R,9S,12R,15S)-6-(1H-INDOL-3-YLMETHYL)-9-(2-METHYLPROPYL)-2,5,8,11,14-PENTAOXO-12-PROPAN-2-YL-1,4,7,10,13-PENTAZABICYCLO(13.3.0)OCTADECAN-3-YL)ACETIC ACID
  • 2-((3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo(13.3.0)octadecan-3-yl)acetic acid
  • 2-((3S,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo(13.3.0)octadecan-3-yl)acetic acid
  • 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl] acetate sodium.
  • 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl] trifluoroacetate.
  • 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-isobutyl-12-isopropyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
  • 2-[(3R,6S,9R,12R,17aS)-9-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-1,4,7,10,13-pentaoxo-3-(propan-2-yl)-hexadecahydro-1H-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-12-yl]acetic acid
  • 71675-85-9