(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
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![(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ab19e58873aa44daa6e57b88ecdc3279.png "(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid")
(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
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CAS No:
138107-58-1
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Formula:
C24H27N5O7
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Chemical Name:
(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
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Synonyms:
N-(N-(N-(p-amidinobenzoyl)-beta-alanyl)-L-alpha-aspartyl)-3-phenyl-L-alanine;p-amidinobenzoyl-beta-alanyl-aspartyl-phenylalanine;Ro 43-5054;Ro 435054;Ro-43-5054;Ro 43-5054;138107-58-1;N-(4-Carbamimidoylbenzoyl)-Beta-Alanyl-L-Alpha-Aspartyl-L-Phenylalanine;(S)-3-(3-(4-carbamimidoylbenzamido)propanamido)-4-(((S)-1-carboxy-2-phenylethyl)amino)-4-oxobutanoic acid;N-(N-(N-(p-Amidinobenzoyl)-beta-alanyl)-L-alpha-aspartyl)-3-phenyl-L-alanine;Ro 435054;p-Amidinobenzoyl-beta-alanyl-aspartyl-phenylalanine;CHEMBL138429;SCHEMBL7299599;DTXSID50160466;Ro-435054;Q27456123;L-Phenylalanine, N-(N-(N-(4-(aminoiminomethyl)benzoyl)-beta-alanyl)-L-alpha-aspartyl)-;(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid;5YB
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CAS No:
(3S)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid Basic Attributes
497.5 g/mol
497.19104822 g/mol
DTXSID50160466
Computed Properties
Molecular Weight:497.5
XLogP3:-0.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:497.19104822
Monoisotopic Mass:497.19104822
Topological Polar Surface Area:212
Heavy Atom Count:36
Complexity:820
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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