(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid
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![(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/989b907b565d464baab44ad7e865680e.png "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid")
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid
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CAS No:
83966-27-2
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Formula:
C32H36N10O5S
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Chemical Name:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid
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Synonyms:
APA-Orn-DNS;N-alpha-(4-amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine;Apa-orn-dns;83966-27-2;DTXSID101004202;L-Ornithine, N2-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-N5-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-;N-alpha-(4-Amino-4-deoxy-N(10)-methylpteroyl)-N(delta)-(5-(N,N-dimethylamino)-1-naphthalenesulfonyl)ornithine;N~2~-(4-{[(4-Amino-2-imino-2,3-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-N~5~-[5-(dimethylamino)naphthalene-1-sulfonyl]ornithine
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CAS No:
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentanoic acid Basic Attributes
672.8 g/mol
672.25908546 g/mol
Computed Properties
Molecular Weight:672.8
XLogP3:1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:672.25908546
Monoisotopic Mass:672.25908546
Topological Polar Surface Area:231
Heavy Atom Count:48
Complexity:1180
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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