(2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide
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![(2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bcfd2b10116e427893b4b6fc44d6efe7.png "(2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide")
(2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide
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CAS No:
131948-41-9
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Formula:
C31H36N4O5
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Chemical Name:
(2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide
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Synonyms:
4-HIPT;4-hydroxy-1-(1H-indol-3-ylcarbonyl)prolyl-N-(phenylmethyl)-N-methyl-tyrosineamide;131948-41-9;4-HIPT;DTXSID80927423;4-Hydroxy-1-(1H-indol-3-ylcarbonyl)prolyl-N-(phenylmethyl)-N-methyl-tyrosineamide;N-{N-Benzyl-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]-N-methylalanyl}pyrrolidine-2-carboximidic acid
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CAS No:
(2S)-N-[(2S)-2-[benzyl(methyl)amino]-3-[4,4-dihydroxy-1-(1H-indole-3-carbonyl)cyclohex-2-en-1-yl]propanoyl]pyrrolidine-2-carboxamide Basic Attributes
544.6 g/mol
544.26857026 g/mol
Computed Properties
Molecular Weight:544.6
XLogP3:2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:544.26857026
Monoisotopic Mass:544.26857026
Topological Polar Surface Area:135
Heavy Atom Count:40
Complexity:963
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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