化学式

CAS号

IUPAC Name

钙;(4S)-4-[氯-[4-[氯-[[2-(dichloroamino)-4-氧代-3H-pteridin-6-基]甲基]氨基]苯甲酰基]氨基]-2-甲酰基-5-羟基-5-oxopentanoate calcium;(4S)-4-[chloro-[4-[chloro-[[2-(dichloroamino)-4-oxo-3H-pteridin-6-yl]methyl]amino]benzoyl]amino]-2-formyl-5-hydroxy-5-oxopentanoate

InChI

InChI=1S/2C20H15Cl4N7O7.Ca/c2*21-29(7-11-6-25-15-14(26-11)16(33)28-20(27-15)31(23)24)12-3-1-9(2-4-12)17(34)30(22)13(19(37)38)5-10(8-32)18(35)36;/h2*1-4,6,8,10,13H,5,7H2,(H,35,36)(H,37,38)(H,25,27,28,33);/q;;+2/p-2/t2*10?,13-;/m00./s1

InChI Key

CKNUVLRCXZBWOU-SPUUTDBBSA-L

Canonical SMILES

C1=CC(=CC=C1C(=O)N(C(CC(C=O)C(=O)[O-])C(=O)O)Cl)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N(Cl)Cl)Cl.C1=CC(=CC=C1C(=O)N(C(CC(C=O)C(=O)[O-])C(=O)O)Cl)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N(Cl)Cl)Cl.[Ca+2]

别名