N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-2-[[2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N'-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pentanediamide
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![N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-2-[[2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N'-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pentanediamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/68d884be95b54f67b4a237c5855f2054.png "N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-2-[[2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N'-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pentanediamide")
N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-2-[[2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N'-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pentanediamide
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CAS No:
115416-34-7
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Formula:
C46H54N12O9
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Chemical Name:
N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-2-[[2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N'-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pentanediamide
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Synonyms:
(((amino-2-ethyl)-2-aminomethyl)-2-pyridine-6-carboxylhistidyl-gamma-(2-amino-2-deoxyglucosyl)glutamylglycylamino)-4-phenyl-1-aminoacridine;AGAGLU;Agaglu;115416-34-7;N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-2-[[2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N'-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pentanediamide;(((Amino-2-ethyl)-2-aminomethyl)-2-pyridine-6-carboxylhistidyl-gamma-(2-amino-2-deoxyglucosyl)glutamylglycylamino)-4-phenyl-1-aminoacridine;Glycinamide, N-(6-(((2-aminoethyl)amino)methyl)-2-pyridinyl)-L-histidyl-N-(2-deoxy-D-glucose-2-C-yl)-L-glutaminyl-N-(4-(9-acridinylamino)phenyl)-
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CAS No:
N-[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]-2-[[2-[[6-[(2-aminoethylamino)methyl]pyridin-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N'-(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl)pentanediamide Basic Attributes
919.0 g/mol
918.41367135 g/mol
Drug Information
(((amino-2-ethyl)-2-aminomethyl)-2-pyridine-6-carboxylhistidyl-gamma-(2-amino-2-deoxyglucosyl)glutamylglycylamino)-4-phenyl-1-aminoacridine
Computed Properties
Molecular Weight:919.0
XLogP3:-0.8
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:25
Exact Mass:918.41367135
Monoisotopic Mass:918.41367135
Topological Polar Surface Area:331
Heavy Atom Count:67
Complexity:1540
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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