(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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![(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f4446d8ce0c44ed9d0e1bfb5090f0d0.png "(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid")
(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
structure -
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CAS No:
169545-27-1
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Formula:
C36H35N3O4
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Chemical Name:
(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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Synonyms:
Tocris-1838; IRL-2500;
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CAS No:
(2S)-2-[[(2R)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Basic Attributes
573.68100
573.26275661
DTXSID20415511
Characteristics
102.50000
6.33800
White crystalline solid
1.246g/cm3
83-88ºC
893.7ºC
494.3ºC
1.652
2.56E-34mmHg at 25°C
Computed Properties
Molecular Weight:573.7
XLogP3:5.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:573.26275661
Monoisotopic Mass:573.26275661
Topological Polar Surface Area:103
Heavy Atom Count:43
Complexity:933
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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