L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S
Thuốc Gốc
Small Molecule
CTHH: C15H19NO3S2
PTK: 325.446
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
325.446
Monoisotopic mass
325.080634859
InChI
InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
InChI Key
InChIKey=UQWLOWFDKAFKAP-WXHSDQCUSA-N
IUPAC Name
(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid
Traditional IUPAC Name
(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylic acid
SMILES
[H][C@@](C)(CS)C(=O)N1C[C@]([H])(C[C@@]1([H])C(O)=O)SC1=CC=CC=C1
Độ hòa tan
5.19e-02 g/l
logP
2.41
logS
-3.8
pKa (strongest acidic)
3.91
pKa (Strongest Basic)
-1.2
PSA
57.61 Å2
Refractivity
86.68 m3·mol-1
Polarizability
34.03 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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