Mol:
55837-30-4.mol by:chem960.com
ChemDraw08031019472D
…………
93 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 3.1400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7983 3.1400 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 14 2 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 21 2 0 0 0 0
M END
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赖氨酸氯尼辛 MDL: MFCD07364029
赖氨酸氯尼辛 InChIKey: CVNFYQCHAWFYQI-ZSCHJXSPSA-N
赖氨酸氯尼辛 Inchi: 1S/C13H11ClN2O2.C6H14N2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12;7-4-2-1-3-5(8)6(9)10/h2-7H,1H3,(H,15,16)(H,17,18);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1
赖氨酸氯尼辛 SMILES: CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)Cl.C(CCN)C[C@@H](C(=O)O)N