Tìm theo
CBZ-LEU-LEU-TYR-CH2F
Thuốc Gốc
Small Molecule
CTHH: C30H43N3O6
PTK: 541.6789
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C30H43N3O6
Phân tử khối
541.6789
Monoisotopic mass
541.315186123
InChI
InChI=1S/C30H43N3O6/c1-19(2)15-26(28(36)31-25(21(5)34)17-22-11-13-24(35)14-12-22)32-29(37)27(16-20(3)4)33-30(38)39-18-23-9-7-6-8-10-23/h6-14,19-20,25-27,29,32,35,37H,15-18H2,1-5H3,(H,31,36)(H,33,38)/t25-,26-,27-,29+/m0/s1
InChI Key
InChIKey=FVHOZBBGUIEWAG-PFWSVGDOSA-N
IUPAC Name
benzyl N-[(1R,2S)-1-hydroxy-1-{[(1S)-1-{[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]carbamoyl}-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamate
Traditional IUPAC Name
benzyl N-[(1R,2S)-1-hydroxy-1-{[(1S)-1-{[(2S)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]carbamoyl}-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamate
SMILES
CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)[C@@H](O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(C)=O
Độ hòa tan
6.56e-03 g/l
logP
4.79
logS
-4.9
pKa (strongest acidic)
9.51
pKa (Strongest Basic)
7.54
PSA
136.99 Å2
Refractivity
149.15 m3·mol-1
Polarizability
60.08 Å3
Rotatable Bond Count
16
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
1
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04653
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5494413
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507912
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