Tìm theo
WRR-99
Thuốc Gốc
Small Molecule
CTHH: C19H28N2O5
PTK: 364.436
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
364.436
Monoisotopic mass
364.199822016
InChI
InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16+/m1/s1
InChI Key
InChIKey=KVZMXOVSHIMGNA-CVEARBPZSA-N
IUPAC Name
(3S)-3-hydroxy-3-{[(1R)-1-[(3-methylbutyl)carbamoyl]-3-phenylpropyl]carbamoyl}propanoic acid
Traditional IUPAC Name
(3S)-3-hydroxy-3-{[(1R)-1-[(3-methylbutyl)carbamoyl]-3-phenylpropyl]carbamoyl}propanoic acid
SMILES
[H][[email protected]](O)(CC(O)=O)C(=O)N[[email protected]]([H])(CCC1=CC=CC=C1)C(=O)NCCC(C)C
Độ hòa tan
1.49e-01 g/l
logP
1.48
logS
-3.4
pKa (strongest acidic)
4
pKa (Strongest Basic)
-3.4
PSA
115.73 Å2
Refractivity
96.53 m3·mol-1
Polarizability
39.79 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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