Trichosanatine

Catalog Number	ACM169626168
CAS Number	169626-16-8
Synonyms	L-Phenylalanine, N-benzoyl-, 2-hydroxy-3-[(1-phenylethylidene)amino]propyl ester
Molecular Weight	444.5
InChI	InChI=1S/C27H28N2O4/c1-20(22-13-7-3-8-14-22)28-18-24(30)19-33-27(32)25(17-21-11-5-2-6-12-21)29-26(31)23-15-9-4-10-16-23/h2-16,24-25,30H,17-19H2,1H3,(H,29,31)/t24,25-/m0/s1
InChI Key	YKOLPGPCLASMMB-BBMPLOMVSA-N
Purity	95%+
Complexity	632
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	444.20490738
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(=NCC(COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)C3=CC=CC=C3
Monoisotopic Mass	444.20490738
PhysicalState	Powder
Rotatable Bond Count	11
Topological Polar Surface Area	88 Ų

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