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197245-19-5 | L-Phenylalanine, N-[[(1,1-dioxidobenzo[b]thien-2-yl)methoxy]carbonyl]-
CAS No: 197245-19-5 Catalog No: AG002AOZ MDL No:
Product Description
Catalog Number:
AG002AOZ
Chemical Name:
L-Phenylalanine, N-[[(1,1-dioxidobenzo[b]thien-2-yl)methoxy]carbonyl]-
CAS Number:
197245-19-5
Molecular Formula:
C19H17NO6S
Molecular Weight:
387.4064
IUPAC Name:
(2S)-2-[(1,1-dioxo-1-benzothiophen-2-yl)methoxycarbonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C19H17NO6S/c21-18(22)16(10-13-6-2-1-3-7-13)20-19(23)26-12-15-11-14-8-4-5-9-17(14)27(15,24)25/h1-9,11,16H,10,12H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChI Key:
DWLKZXPISLVRER-INIZCTEOSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccccc1)OCC1=Cc2c(S1(=O)=O)cccc2
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
387.078g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.406g/mol
Monoisotopic Mass:
387.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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