2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid
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![2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fa8ba3cf1360439a92659df0481d4e3c.png "2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid")
2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid
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CAS No:
5616-93-3
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Formula:
C31H48N6O9
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Chemical Name:
2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid
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Synonyms:
5616-93-3;NSC91694;DTXSID50329112;NSC-91694;2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid
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CAS No:
2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid Basic Attributes
648.7 g/mol
648.34827713 g/mol
91694
DTXSID50329112
Computed Properties
Molecular Weight:648.7
XLogP3:1.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:648.34827713
Monoisotopic Mass:648.34827713
Topological Polar Surface Area:223
Heavy Atom Count:46
Complexity:1130
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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