METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE
Thuốc Gốc
Small Molecule
CTHH: C22H35N3O5
PTK: 421.5304
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
421.5304
Monoisotopic mass
421.257671245
InChI
InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1
InChI Key
InChIKey=WIWZNHHLFMPGGO-PIKADFDJSA-N
IUPAC Name
methyl (2R)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-3-[4-(propan-2-yl)phenyl]propanamido]propanamido]-4-methylpentanoate
Traditional IUPAC Name
methyl (2R)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanamido]propanamido]-4-methylpentanoate
SMILES
[H][C@@](C)(NC(=O)[C@@]([H])(O)[C@]([H])(N)C1=CC=C(C=C1)C(C)C)C(=O)N[C@]([H])(CC(C)C)C(=O)OC
Độ hòa tan
3.08e-02 g/l
logP
1.73
logS
-4.1
pKa (strongest acidic)
11.98
pKa (Strongest Basic)
8.12
PSA
130.75 Å2
Refractivity
113.55 m3·mol-1
Polarizability
46.24 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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