1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE
Thuốc Gốc
Small Molecule
CTHH: C23H35N7O5
PTK: 489.5679
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C23H35N7O5
Phân tử khối
489.5679
Monoisotopic mass
489.269967265
InChI
InChI=1S/C23H35N7O5/c1-15(2)14-18(28-20(31)16-7-9-17(10-8-16)30(34)35)22(33)29-13-5-6-19(29)21(32)26-11-3-4-12-27-23(24)25/h7-10,15,18-19H,3-6,11-14H2,1-2H3,(H,26,32)(H,28,31)(H4,24,25,27)/t18-,19-/m0/s1
InChI Key
InChIKey=FIZYZWLGMGGGBJ-OALUTQOASA-N
IUPAC Name
(2S)-N-{4-[(diaminomethylidene)amino]butyl}-1-[(2S)-4-methyl-2-[(4-nitrophenyl)formamido]pentanoyl]pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-N-{4-[(diaminomethylidene)amino]butyl}-1-[(2S)-4-methyl-2-[(4-nitrophenyl)formamido]pentanoyl]pyrrolidine-2-carboxamide
SMILES
CC(C)C[C@H](NC(=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N
Độ hòa tan
3.09e-02 g/l
logP
0.83
logS
-4.2
pKa (strongest acidic)
13.89
pKa (Strongest Basic)
11.28
PSA
188.73 Å2
Refractivity
131.2 m3·mol-1
Polarizability
52.01 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
8
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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