(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
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![(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/64f725bbc2674a72abe2a7a425ee6aea.png "(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid")
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
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CAS No:
958983-82-9
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Formula:
C21H19N5O4
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Chemical Name:
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid
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Synonyms:
N-[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]-L-tryptophan;MLS000332393;CHEMBL1705764;HMS2743L20;ZINC2358641;EiM07-17609;STK716986;AKOS004937128;MCULE-6716930228;SMR000221727;(S)-3-(1H-Indol-3-yl)-2-[(S)-2-(4-oxo-4H-benzo[d][1,2,3]triazin-3-yl)-propionylamino]-propionic acid;958983-82-9
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CAS No:
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoic acid Basic Attributes
405.4 g/mol
405.14370410 g/mol
Computed Properties
Molecular Weight:405.4
XLogP3:3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:405.14370410
Monoisotopic Mass:405.14370410
Topological Polar Surface Area:127
Heavy Atom Count:30
Complexity:714
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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