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[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-{[(2S,3R)-1-Amino-3-hydroxy-1-oxo-2-butanyl]carbamoyl}-25-(3-amino-3-oxopropyl)-7-(3-carbamimidamidopropyl)-10,13-bis(1H-imidazol-4-ylmethyl)-19-(1H-indol-3- ylmethyl)-34-(L-isoleucylamino)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid

Molecular formula:C66H99N23O17S2
Average mass:1550.782
Monoisotopic mass:1549.703071
ChemSpider ID:17347520
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14 of 14 defined stereocentres

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Double-bond stereo

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Verified

1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontane-22-acetic acid, 4-[[[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]amino]carbonyl]-7-[3-[(aminoiminomethyl)amino]propyl]-34-[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]-25-(3-amino-3-oxopropyl)-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-28,31-bis(1-methylethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-, (4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-

1,2-Dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontane-22-acetic acid, 4-[[[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]amino]carbonyl]-7-[3-[[(E)-aminoiminomethyl]amino]propyl]-34-[[(2S,3S )-2-amino-3-methyl-1-oxopentyl]amino]-25-(3-amino-3-oxopropyl)-10,13-bis(1H-imidazol-4-ylmethyl)-19-(1H-indol-3-ylmethyl)-28,31-bis(1-methylethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-, (4R,7S,10S,13S, 19S,22S,25S,28S,31S,34R)-

[ACD/Index Name]

206645-99-0

[RN]

[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-{[(2S,3R)-1-Amino-3-hydroxy-1-oxo-2-butanyl]carbamoyl}-25-(3-amino-3-oxopropyl)-7-(3-carbamimidamidopropyl)-10,13-bis(1H-imidazol-4-ylmethyl)-19-(1H-indol-3- ylmethyl)-34-(L-isoleucylamino)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid

[ACD/IUPAC Name]

[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-{[(2S,3R)-1-Amino-3-hydroxy-1-oxo-2-butanyl]carbamoyl}-25-(3-amino-3-oxopropyl)-7-(3-carbamimidamidopropyl)-10,13-bis(1H-imidazol-4-ylmethyl)-19-(1H-indol-3- ylmethyl)-34-(L-isoleucylamino)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]essigsäure

[German]

[ACD/IUPAC Name]

[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-{[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-25-(3-amino-3-oxopropyl)-7-(3-carbamimidamidopropyl)-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-34-(L-isoleucylamino)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid

Acide [(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-{[(2S,3R)-1-amino-3-hydroxy-1-oxo-2-butanyl]carbamoyl}-25-(3-amino-3-oxopropyl)-7-(3-carbamimidamidopropyl)-10,13-bis(1H-imidazol-4-ylméthyl)-19-(1H-in dol-3-ylméthyl)-34-(L-isoleucylamino)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-décaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-décaazacyclopentatriacontan-22-yl]acétique

[French]

[ACD/IUPAC Name]
Unverified

2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S,3S)-2-amino-3-methylpentanamido]-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-bis(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acid

2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-[(2S,3S)-2-amino-3-methylpentanamido]-7-(3-carbamimidamidopropyl)-4-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-25-(2-carbamoylethyl)-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-bis(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl]acetic acidNA

2-[(4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-34-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-25-(3-amino-3-oxopropyl)-7-[3-(diaminomethylideneamino)propyl]-10,13-bis(1H-imidazol-5-ylmethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-28,31-di(propan-2-yl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-22-yl]acetic acid

Compstatin

MFCD09263618

[MDL number]
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