(4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
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![(4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/43c7de82465547769835d7c0edd88d7a.png "(4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid")
(4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
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CAS No:
86190-22-9
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Formula:
C21H29N5O7
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Chemical Name:
(4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
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Synonyms:
pyro-Glu-Pro-Val-pNA;pyroglutamyl-proly-valine-4-nitroanilide;S 2484;S-2484;86190-22-9;Pyro-glu-pro-val-pna;Pyroglutamyl-proly-valine-4-nitroanilide;DTXSID801006635;L-Valinamide, L-alpha-glutamyl-L-prolyl-N-(4-nitrophenyl)-;4-Amino-5-[2-(hydroxy{[N-(4-nitrophenyl)valyl]imino}methyl)pyrrolidin-1-yl]-5-oxopentanoic acid
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CAS No:
(4S)-4-amino-5-[(2S)-2-[[(2S)-3-methyl-2-(4-nitroanilino)butanoyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Basic Attributes
463.5 g/mol
463.20669828 g/mol
Computed Properties
Molecular Weight:463.5
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:463.20669828
Monoisotopic Mass:463.20669828
Topological Polar Surface Area:188
Heavy Atom Count:33
Complexity:746
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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