Ac-phe-ome

Catalog Number	ACM3618960
CAS	3618-96-0
Structure
Description	AC-PHE-OME is a marine derived natural products found in Family Jaspidae.
Synonyms	Methyl N-acetyl-L-phenylalaninate
IUPAC Name	Methyl (2S)-2-acetamido-3-phenylpropanoate
Molecular Weight	221.25
Molecular Formula	C12H15NO3
Canonical SMILES	CC(=O)NC(CC1=CC=CC=C1)C(=O)OC
InChI	InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m0/s1
InChI Key	IKGHIFGXPVLPFD-NSHDSACASA-N
Boiling Point	391ºC at 760mmHg
Flash Point	190.3ºC
Purity	95%+
Density	1.117 g/cm³
Complexity	247
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	221.10519334
Heavy Atom Count	16
Isomeric SMILES	CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC
Monoisotopic Mass	221.10519334
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	55.4 Ų