1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE
Thuốc Gốc
Small Molecule
CTHH: C23H38N6O4S
PTK: 494.651
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H38N6O4S
Phân tử khối
494.651
Monoisotopic mass
494.267524424
InChI
InChI=1S/C23H38N6O4S/c1-17(2)15-19(28-34(32,33)16-18-9-4-3-5-10-18)22(31)29-14-8-11-20(29)21(30)26-12-6-7-13-27-23(24)25/h3-5,9-10,17,19-20,28H,6-8,11-16H2,1-2H3,(H,26,30)(H4,24,25,27)/t19-,20-/m0/s1
InChI Key
InChIKey=DSVCYWOHJLRGMK-PMACEKPBSA-N
IUPAC Name
(2S)-N-{4-[(diaminomethylidene)amino]butyl}-1-[(2S)-4-methyl-2-(phenylmethane)sulfonamidopentanoyl]pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-N-{4-[(diaminomethylidene)amino]butyl}-1-[(2S)-4-methyl-2-phenylmethanesulfonamidopentanoyl]pyrrolidine-2-carboxamide
SMILES
CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N
Độ hòa tan
9.90e-02 g/l
logP
0.08
logS
-3.7
pKa (strongest acidic)
9.18
pKa (Strongest Basic)
11.29
PSA
159.98 Å2
Refractivity
131.54 m3·mol-1
Polarizability
52.93 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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