Tìm theo
1,5-Bis(N-Benzyloxycarbonyl-L-Leucinyl)Carbohydrazide
Thuốc Gốc
Small Molecule
CTHH: C29H40N6O7
PTK: 584.6639
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C29H40N6O7
Phân tử khối
584.6639
Monoisotopic mass
584.295847664
InChI
InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m1/s1
InChI Key
InChIKey=HGDUWJVGIGLVOH-DNQXCXABSA-N
IUPAC Name
benzyl N-[(1R)-1-[({[(2R)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanehydrazido]carbonyl}amino)carbamoyl]-3-methylbutyl]carbamate
Traditional IUPAC Name
benzyl N-[(1R)-1-[({[(2R)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanehydrazido]carbonyl}amino)carbamoyl]-3-methylbutyl]carbamate
SMILES
CC(C)C[C@@H](NC(=O)OCC1=CC=CC=C1)C(=O)NNC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
Độ hòa tan
4.06e-03 g/l
logP
3.58
logS
-5.2
pKa (strongest acidic)
9.26
PSA
175.99 Å2
Refractivity
153.29 m3·mol-1
Polarizability
61.99 Å3
Rotatable Bond Count
16
H Bond Acceptor Count
5
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03891
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936822
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505828
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