Tìm theo
Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Vinylglycine
Thuốc Gốc
Small Molecule
CTHH: C13H21N3O6S
PTK: 347.387
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H21N3O6S
Phân tử khối
347.387
Monoisotopic mass
347.115106109
InChI
InChI=1S/C13H21N3O6S/c1-2-8(13(21)22)16-11(18)9(6-23)15-10(17)5-3-4-7(14)12(19)20/h2,7-9,23H,1,3-6,14H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t7-,8+,9+/m0/s1
InChI Key
InChIKey=JJJCGQKXGIRXKN-DJLDLDEBSA-N
IUPAC Name
(2S)-2-amino-5-{[(1S)-1-{[(1R)-1-carboxyprop-2-en-1-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}pentanoic acid
Traditional IUPAC Name
(2S)-2-amino-5-{[(1S)-1-{[(1R)-1-carboxyprop-2-en-1-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}pentanoic acid
SMILES
N[[email protected]@H](CCCC(=O)N[[email protected]](CS)C(=O)N[[email protected]](C=C)C(O)=O)C(O)=O
Độ hòa tan
9.05e-01 g/l
logP
-3.5
logS
-2.6
pKa (strongest acidic)
1.94
pKa (Strongest Basic)
9.15
PSA
158.82 Å2
Refractivity
82.62 m3·mol-1
Polarizability
33.25 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
7
H Bond Donor Count
6
Physiological Charge
-1
Number of Rings
0
Bioavailability
0
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