(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
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![(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/75d0ed85f4954967b7771d1ba2539b31.png "(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid")
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
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CAS No:
83830-01-7
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Formula:
C30H41N7O6
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Chemical Name:
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
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Synonyms:
alkaline protease inhibitor (API);alpha-MAPI;beta-MAPI;MAPI;microbial alkaline proteinase inhibitor;beta-MAPI;Phe-CO-Arg-Val-D-Phe-H;83830-01-7;N-(N-(N2-(((1-Carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl)-L-valyl)-D-phenylalanine, aldehyde deriv.;N-[N-[N2-[[(1-Carboxy-2-phenylethyl)amino]carbonyl]-L-arginyl]-L-valyl]-D-phenylalanine, aldehyde deriv.;.beta.-MAPI;SCHEMBL17364033;DTXSID70232735;(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
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CAS No:
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-3-methyl-1-oxo-1-[[(2R)-1-oxo-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid Basic Attributes
595.7 g/mol
595.31183205 g/mol
DTXSID70232735
Computed Properties
Molecular Weight:595.7
XLogP3:1.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:17
Exact Mass:595.31183205
Monoisotopic Mass:595.31183205
Topological Polar Surface Area:218
Heavy Atom Count:43
Complexity:943
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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