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19898-39-6 | Carbamic acid, N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, phenylmethyl ester
CAS No: 19898-39-6 Catalog No: AG002BV3 MDL No:MFCD00136595
Product Description
Catalog Number:
AG002BV3
Chemical Name:
Carbamic acid, N-[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, phenylmethyl ester
CAS Number:
19898-39-6
Molecular Formula:
C17H18N2O4
Molecular Weight:
314.3358
MDL Number:
MFCD00136595
IUPAC Name:
benzyl N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C17H18N2O4/c18-16(21)15(10-12-6-8-14(20)9-7-12)19-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,20H,10-11H2,(H2,18,21)(H,19,22)/t15-/m0/s1
InChI Key:
DJPCVJYIWLEUBO-HNNXBMFYSA-N
SMILES:
O=C(N[C@H](C(=O)N)Cc1ccc(cc1)O)OCc1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
314.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.341g/mol
Monoisotopic Mass:
314.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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