4-氯苯甲酰-L-色氨酸钙盐(56116-62-2)核磁图(1HNMR)
分子式:C36H28CaCl2N4O6
分子量: 723.61
InChI:InChI=1/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2/t2*16-;/s3
InChIKey: BTTZKEFKFLGNEC-QQOGEPGGNA-L
Smiles:C12C=CC=CC=1NC=C2C[C@H](C(=O)O[Ca]OC(=O)[C@@H](NC(=O)C1C=CC(Cl)=CC=1)CC1=CNC2C=CC=CC1=2)NC(=O)C1C=CC(Cl)=CC=1 |&1:10,18,r|