4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
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![4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c3331a1f125645a8b7301aeda467ea84.png "4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid")
4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
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CAS No:
21754-03-0
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Formula:
C17H29N3O3
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Chemical Name:
4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid
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Synonyms:
stravidin;Stravidin;Stravidin-S3;21754-03-0;Antibiotic msd-235-S3;MSD-235-S3;DTXSID30944362;2,5-Cyclohexadiene-1-butyric acid, 4-amino-alpha-(3-methyl-2-(methylamino)valeramido)-;4-(4-Amino-2,5-cyclohexadienyl)-2-(2-(methylamino)-3-methylvaleramido)butyric acid;4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid;Butanoic acid, N-methyl-L-isoleucyl-4-(4-amino-2,5-cyclohexadien-1-yl)-L-amino-, trans-;Butyric acid, 4-(4-amino-2,5-cyclohexadienyl)-2-(2-(methylamino)-3-methylvaleramido)-;Butanoic acid, N-methyl-L-isoleucyl-gamma-(4-amino-2,5-cyclohexadien-1-yl)-L-alpha-amino-, (E);4-(4-Amino-2,5-cyclohexadienyl)-2-[2-(methylamino)-3-methylvalerylamino]butyric acid;4-(4-Aminocyclohexa-2,5-dien-1-yl)-2-{[1-hydroxy-3-methyl-2-(methylamino)pentylidene]amino}butanoic acid
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CAS No:
4-(4-aminocyclohexa-2,5-dien-1-yl)-2-[[3-methyl-2-(methylamino)pentanoyl]amino]butanoic acid Basic Attributes
323.4 g/mol
323.22089180 g/mol
Computed Properties
Molecular Weight:323.4
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:323.22089180
Monoisotopic Mass:323.22089180
Topological Polar Surface Area:104
Heavy Atom Count:23
Complexity:448
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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