4-CHLOROBENZOYL-L-TRYPTOPHAN CALCIUM SALT

CAS No.
56116-62-2
CCD No.
CCD00023737
Formula
C36 H28 Ca Cl2 N4 O6
MolWeight
723.623

Basic Information

Product Name: 4-CHLOROBENZOYL-L-TRYPTOPHAN CALCIUM SALT
CAS: 56116-62-2
English Synonyms: 4-CHLOROBENZOYL-L-TRYPTOPHAN CALCIUM SALT
MDL Number.: MFCD00036700
H bond acceptor: 10
H bond donor: 4
Smile: c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O[Ca]OC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)c5ccc(cc5)Cl)NC(=O)c6ccc(cc6)Cl
InChi: InChI=1S/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-;/m10./s1
InChiKey: InChIKey=BTTZKEFKFLGNEC-CQYLEEIWSA-L

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