D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Thuốc Gốc
Small Molecule
CTHH: C19H29N5O2
PTK: 359.4659
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H29N5O2
Phân tử khối
359.4659
Monoisotopic mass
359.232125197
InChI
InChI=1S/C19H29N5O2/c1-12(2)10-15(20)19(26)24-9-3-4-16(24)18(25)23-11-13-5-7-14(8-6-13)17(21)22/h5-8,12,15-16H,3-4,9-11,20H2,1-2H3,(H3,21,22)(H,23,25)/t15-,16+/m1/s1
InChI Key
InChIKey=XFNMDMGNNKIXBT-CVEARBPZSA-N
IUPAC Name
(2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
SMILES
[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=C(C=C1)C(N)=N
Độ hòa tan
1.28e-01 g/l
logP
0.47
logS
-3.5
pKa (strongest acidic)
15.36
pKa (Strongest Basic)
11.48
PSA
125.3 Å2
Refractivity
112.16 m3·mol-1
Polarizability
40.41 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
5
H Bond Donor Count
4
Physiological Charge
2
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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