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Icatibant

Molecular formula:C59H90N20O12S
Average mass:1303.557
Monoisotopic mass:1302.676779
ChemSpider ID:28533221
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12 of 12 defined stereocentres

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(2S,3aS,7aS)-N-[(2S)-1-Amino-5-carbamimidamido-1-oxo-2-pentanyl]-1-({(3R)-2-[(2S)-2-{[(2S)-2-{[({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl ]-2-pyrrolidinyl}carbonyl)-4-hydroxy-2-pyrrolidinyl]carbonyl}amino)acetyl]amino}-3-(2-thienyl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydro-3-isochinolinyl}carbonyl)octahydro-1H-indol-2-carb oxamid

[German]

[ACD/IUPAC Name]

(2S,3aS,7aS)-N-[(2S)-1-Amino-5-carbamimidamido-1-oxo-2-pentanyl]-1-({(3R)-2-[(2S)-2-{[(2S)-2-{[({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl ]-2-pyrrolidinyl}carbonyl)-4-hydroxy-2-pyrrolidinyl]carbonyl}amino)acetyl]amino}-3-(2-thienyl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)octahydro-1H-indole-2-car boxamide

[ACD/IUPAC Name]

(2S,3aS,7aS)-N-[(2S)-1-Amino-5-carbamimidamido-1-oxo-2-pentanyl]-1-({(3R)-2-[(2S)-2-{[(2S)-2-{[2-({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentano yl]-2-pyrrolidinyl}carbonyl)-4-hydroxy-2-pyrrolidinyl]carbonyl}amino)acétyl]amino}-3-(2-thiényl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tétrahydro-3-isoquinoléinyl}carbonyl)octahydro-1H-indole-2- carboxamide

[French]

[ACD/IUPAC Name]

Icatibant

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Unverified

(2S,3aS,7aS)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-1-({(3R)-2-[(2S)-2-{[(2S)-2-{[({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl

(2S,3aS,7aS)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-1-({(3R)-2-[(2S)-2-{[(2S)-2-{[({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl]pyrrolidin-2-yl}carbonyl)-4-hydroxypyrrolidin-2-yl]carbonyl}amino)acetyl]amino}-3-(2-thienyl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)octahydro-1H-indole-2-carboxamide

130308-48-4

[RN]

boxamide

D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl-L-arginineH-D-Arg-Arg-Pro-Hyp-Gly-Thi-Ser-D-Tic-Oic-Arg-OH