Motuporin
Các tên gọi khác (1) :
- nodularin-V
Thuốc Gốc
Small Molecule
CTHH: C40H63N5O10
PTK: 773.9557
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C40H63N5O10
Phân tử khối
773.9557
Monoisotopic mass
773.457493261
InChI
InChI=1S/C40H63N5O10/c1-10-30-37(49)44-34(40(53)54)26(7)36(48)43-33(22(2)3)38(50)41-28(25(6)35(47)42-29(39(51)52)18-19-32(46)45(30)8)17-16-23(4)20-24(5)31(55-9)21-27-14-12-11-13-15-27/h11-15,22-26,28-31,33-34H,10,16-21H2,1-9H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/t23-,24+,25+,26+,28+,29-,30+,31+,33+,34-/m1/s1
InChI Key
InChIKey=MESJISIEDVKBAM-NSKZDGTMSA-N
IUPAC Name
(2S,5R,6S,9S,12S,13S,16R)-2-ethyl-12-[(3R,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylheptyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-9-(propan-2-yl)-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid
Traditional IUPAC Name
motuporin
SMILES
CC[C@@H]1N(C)C(=O)CC[C@@H](NC(=O)[C@@H](C)[C@H](CC[C@@H](C)C[C@H](C)[C@H](CC2=CC=CC=C2)OC)NC(=O)[C@@H](NC(=O)[C@@H](C)[C@@H](NC1=O)C(O)=O)C(C)C)C(O)=O
Độ hòa tan
7.70e-03 g/l
logP
3.36
logS
-5
pKa (strongest acidic)
3.46
pKa (Strongest Basic)
-0.63
PSA
220.54 Å2
Refractivity
203.17 m3·mol-1
Polarizability
83.43 Å3
Rotatable Bond Count
13
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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