(2s,3r)-3-Amino-2-Hydroxy-5-(Ethylsulfanyl)Pentanoyl-((S)-(-)-(1-Naphthyl)Ethyl)Amide
Thuốc Gốc
Small Molecule
CTHH: C19H26N2O2S
PTK: 346.487
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
346.487
Monoisotopic mass
346.171498776
InChI
InChI=1S/C19H26N2O2S/c1-3-24-12-11-17(20)18(22)19(23)21-13(2)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13,17-18,22H,3,11-12,20H2,1-2H3,(H,21,23)/t13-,17-,18-/m0/s1
InChI Key
InChIKey=AIIOXZPEXXZCML-KKXDTOCCSA-N
IUPAC Name
(2S,3S)-3-amino-5-(ethylsulfanyl)-2-hydroxy-N-[(1S)-1-(naphthalen-1-yl)ethyl]pentanamide
Traditional IUPAC Name
(2S,3S)-3-amino-5-(ethylsulfanyl)-2-hydroxy-N-[(1S)-1-(naphthalen-1-yl)ethyl]pentanamide
SMILES
[H][C@](N)(CCSCC)[C@]([H])(O)C(=O)N[C@@]([H])(C)C1=C2C=CC=CC2=CC=C1
Độ hòa tan
9.18e-03 g/l
logP
2.24
logS
-4.6
pKa (strongest acidic)
12.59
pKa (Strongest Basic)
8.75
PSA
75.35 Å2
Refractivity
100.55 m3·mol-1
Polarizability
38.96 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
3
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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