(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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![(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/da5ee707efb4490a8b71e38100ffaaa4.png "(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid")
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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CAS No:
66025-31-8
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Formula:
C30H36N6O7S
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Chemical Name:
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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Synonyms:
N(alpha)-formyltetragastrin;66025-31-8;N(alpha)-Formyltetragastrin;DTXSID70984484;L-Phenylalaninamide, 1-formyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-;3-{[2-{[2-Amino-3-(1-formyl-1H-indol-3-yl)-1-hydroxypropylidene]amino}-1-hydroxy-4-(methylsulfanyl)butylidene]amino}-4-hydroxy-4-[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]butanoic acid
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CAS No:
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Basic Attributes
624.7 g/mol
624.23661868 g/mol
Computed Properties
Molecular Weight:624.7
XLogP3:-1.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:16
Exact Mass:624.23661868
Monoisotopic Mass:624.23661868
Topological Polar Surface Area:241
Heavy Atom Count:44
Complexity:1030
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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