Chemical Compound

(3S,6S,9S,12R,17R,20S,23S,26S,29S,34aS)-26,29-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-17-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{[(2S)-5-carbamimidamido-2-(4-fluorobenzamido)pentanoyl]amino}pentanoyl]amino}-3-(naphthalen-2-yl)propanoyl]amino}-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[2,1-p][1,2,5,8,11,14,17,20,23,26,29]dithianonaazacyclodotriacontine-12-carboxamide

CAS Registry Number 664334-36-5
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(3S,6S,9S,12R,17R,20S,23S,26S,29S,34aS)-26,29-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-17-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{[(2S)-5-carbamimidamido-2-(4-fluorobenzamido)pentanoyl]amino}pentanoyl]amino}-3-(naphthalen-2-yl)propanoyl]amino}-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[2,1-p][1,2,5,8,11,14,17,20,23,26,29]dithianonaazacyclodotriacontine-12-carboxamide 结构式
Primary record

(3S,6S,9S,12R,17R,20S,23S,26S,29S,34aS)-26,29-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-17-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{[(2S)-5-carbamimidamido-2-(4-fluorobenzamido)pentanoyl]amino}pentanoyl]amino}-3-(naphthalen-2-yl)propanoyl]amino}-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[2,1-p][1,2,5,8,11,14,17,20,23,26,29]dithianonaazacyclodotriacontine-12-carboxamide

库存
817 克
纯度
99.6 %
CAS
664334-36-5

化合物标识与属性

CAS
664334-36-5
PubChem CID
91865076
SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C6=CC=C(C=C6)F)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCNC(=O)N)CCCNC(=N)N)CC7=CC=C(C=C7)O
Canonical SMILES
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(N)=O

名称与同义词

  • Motixafortide
  • motixafortida
  • motixafortidum
  • BKT140
  • Aphexda
  • 4F-benzoyl-TN14003
  • Motixafortide [USAN]
  • BL-8040
  • T140 compound
  • BKT 140
  • RefChem:819543
  • Motixafortide(BKT140)?
  • MOTIXAFORTIDE [INN]
  • BKT-140
  • 4-fluorobenzoyl-TN14003
  • TF14016
  • BKT140 (4-fluorobenzoyl)
  • UNII-DA9G065962
  • 664334-36-5
  • 4-fluorobenzoyl-TN-14003
  • DA9G065962
  • CHEBI:145536
  • MOTIXAFORTIDE [WHO-DD]
  • 4F-BENZOYL-TN-14003
  • CHEMBL6067714
  • SCHEMBL26667068
  • TF 14016
  • GTPL10679
  • WHO 10935
  • TF-14016
  • BL 8040
  • PBB33436
  • BL8040
  • BAT-006144
  • DB14939
  • CID:91865076
  • T140
  • TN-14003
  • SID:112378979
  • C477728
  • A1036007
  • Q27276305
  • (3S,6S,9S,12R,17R,20S,23S,26S,29S,34aS)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-26,29-bis(4-aminobutyl)-17-((S)-2-((S)-2-((S)-2-(4-fluorobenzamido)-5-guanidinopentanamido)-5-guanidinopentanamido)-3-(naphthalen-2-yl)propanamido)-6-(3-guanidinopropyl)-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxo-9,23-bis(3-ureidopropyl)triacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carboxamide
  • (3S,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[(4-fluorobenzoyl)amino]pentanoyl]amino]pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-26-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide
  • N-(4-FLUORO-BENZOYL)-L-ARGINYL-L-ARGINYL-(L-3-(NAPHTHYL)ALANYL)-L-CYSTEINYL-L-TYROSYL-L-CITRULLINYL-L-LYSYL-D-LYSYL-L-PROLYL-L-TYROSYL-L-ARGINYL-L-CITRULLINYL-L-CYSTEINYL-L-ARGININE AMIDE,CYCLIC (4-13)-DISULFIDE
  • (3S,6S,9S,12R,17R,20S,23S,26S,29S,34aS)-26,29-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-17-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{[(2S)-5-carbamimidamido-2-(4-fluorobenzamido)pentanoyl]amino}pentanoyl]amino}-3-(naphthalen-2-yl)propanoyl]amino}-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[2,1-p][1,2,5,8,11,14,17,20,23,26,29]dithianonaazacyclodotriacontine-12-carboxamide
  • (3S,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-N-((2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl)-15-(((2S)-2-(((2S)-5-carbamimidamido-2-(((2S)-5-carbamimidamido-2-((4-fluorobenzoyl)amino)pentanoyl)amino)pentanoyl)amino)-3-naphthalen-2-ylpropanoyl)amino)-26-(3-carbamimidamidopropyl)-9,23-bis(3-(carbamoylamino)propyl)-12,29-bis((4-hydroxyphenyl)methyl)-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo(30.3.0)pentatriacontane-20-carboxamide
  • L-ARGININAMIDE, N2-(4-FLUOROBENZOYL)-L-ARGINYL-L-ARGINYL-3-(2-NAPHTHALENYL)-L-ALANYL-L-CYSTEINYL-L-TYROSYL-N5-(AMINOCARBONYL)-L-ORNITHYL-L-LYSYL-D-LYSYL-L-PROLYL-L-TYROSYL-L-ARGINYL-N5-(AMINOCARBONYL)-L-ORNITHYL-L-CYSTEINYL-, CYCLIC (4->13)-DISULFIDE
  • S3.4,S3.13-CYCLO(N.ALPHA.-(4-FLUOROBENZOYL)-L-ARGINYL-L-ARGINYL-3-(NAPHTHALEN-2-YL)-L-ALANYL-L-CYSTEINYL-L-TYROSYL-N5-CARBAMOYL-L-ORNITHYL-L-LYSYL-D-LYSYL-L-PROLYL-L-TYROSYL-LARGINYL-N5-CARBAMOYL-L-ORNITHYL-L-CYSTEINYL-L-ARGININAMIDE)