1-[(4R)-4-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
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![1-[(4R)-4-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/36a75bff767b479bb84fe6eed3fe2508.png "1-[(4R)-4-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid")
1-[(4R)-4-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
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CAS No:
116587-09-8
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Formula:
C28H40N4O8
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Chemical Name:
1-[(4R)-4-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
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Synonyms:
1-(N(2)-benzyloxycarbonyllysyl-gamma-glutamyl)octahydro-1H-indole-2-carboxylic acid;1-BLGIC;Z-Lys-Glu-octahydro-1H-indole-2-carboxylic acid;1-Blgic;Z-Lys-glu-octahydro-1H-indole-2-carboxylic acid;116587-09-8;1-(N(2)-Benzyloxycarbonyllysyl-gamma-glutamyl)octahydro-1H-indole-2-carboxylic acid
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CAS No:
1-[(4R)-4-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-carboxybutanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Basic Attributes
560.6 g/mol
560.28461425 g/mol
Drug Information
1-(N(2)-benzyloxycarbonyllysyl-gamma-glutamyl)octahydro-1H-indole-2-carboxylic acid
Computed Properties
Molecular Weight:560.6
XLogP3:-0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:15
Exact Mass:560.28461425
Monoisotopic Mass:560.28461425
Topological Polar Surface Area:188
Heavy Atom Count:40
Complexity:894
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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