(2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide
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![(2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/75c88baab84f4eefb209fdf23a08284f.png "(2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide")
(2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide
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CAS No:
600142-19-6
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Formula:
C21H27N5O6S
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Chemical Name:
(2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide
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Synonyms:
CJ-463;compound 4 [PMID: 18163548];CHEMBL252937;N-(BENZYLSULFONYL)SERYL-N~1~-{4-[(Z)-AMINO(IMINO)METHYL]BENZYL}SERINAMIDE;600142-19-6;(S)-N-(4-carbamimidoylbenzyl)-3-hydroxy-2-((R)-3-hydroxy-2-((phenylmethyl)sulfonamido)propanamido)propanamide;1vja;7IN;GTPL6545;SCHEMBL12847292;BDBM50231520;US8476306, 6.12;Q27076692;N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)-L-serinamide;(2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-2-(phenylmethylsulfonylamino)propanamide;(R)-N-[(S)-1-(4-carbamimidoyl-benzylcarbamoyl)-2-hydroxy-ethyl]-3-hydroxy-2-phenylmethanesulfonylamino-propionamide
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CAS No:
(2S)-2-[[(2R)-2-(benzylsulfonylamino)-3-hydroxypropanoyl]amino]-N-[(4-carbamimidoylphenyl)methyl]-3-hydroxypropanamide Basic Attributes
477.5 g/mol
477.16820477 g/mol
Computed Properties
Molecular Weight:477.5
XLogP3:-1.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:477.16820477
Monoisotopic Mass:477.16820477
Topological Polar Surface Area:203
Heavy Atom Count:33
Complexity:758
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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