2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid
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![2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8a1e1802ef2a4a7f845064680336b7ac.png "2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid")
2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid
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CAS No:
105931-59-7
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Formula:
C21H30IN3O5S
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Chemical Name:
2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid
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Synonyms:
N-Formyl-Met-Leu-p-iodo-Phe; 3-(4-iodophenyl)-2-{2-[2-formamido-4-(methylsulfanyl)butanamido]-4-methylpentanamido}propanoic acid; For-Met-Leu-4-iodo-Phe-OH;
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CAS No:
2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid Basic Attributes
563.44900
563.09509 g/mol
350594
DTXSID50319790
Computed Properties
Molecular Weight:563.5
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:563.09509
Monoisotopic Mass:563.09509
Topological Polar Surface Area:150
Heavy Atom Count:31
Complexity:600
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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