1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
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![1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/529280bed2e342eca4637742405941e6.png "1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid")
1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
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CAS No:
6041-33-4
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Formula:
C22H32N4O7
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Chemical Name:
1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
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Synonyms:
6041-33-4;NSC86290;DTXSID10329057;NSC-86290;N-(2-Amino-3-hydroxy-4-methylbenzoyl)threonylvalylproline
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CAS No:
1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Basic Attributes
464.5 g/mol
464.22709937 g/mol
86290
DTXSID10329057
Computed Properties
Molecular Weight:464.5
XLogP3:1.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:464.22709937
Monoisotopic Mass:464.22709937
Topological Polar Surface Area:182
Heavy Atom Count:33
Complexity:746
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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