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20696-64-4 | Carbamic acid, N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, phenylmethyl ester
CAS No: 20696-64-4 Catalog No: AG002IRN MDL No:
Product Description
Catalog Number:
AG002IRN
Chemical Name:
Carbamic acid, N-[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, phenylmethyl ester
CAS Number:
20696-64-4
Molecular Formula:
C19H19N3O3
Molecular Weight:
337.3725
IUPAC Name:
benzyl N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C19H19N3O3/c20-18(23)17(10-14-11-21-16-9-5-4-8-15(14)16)22-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,21H,10,12H2,(H2,20,23)(H,22,24)/t17-/m0/s1
InChI Key:
GGRKLCWXRBTPLH-KRWDZBQOSA-N
SMILES:
O=C(N[C@H](C(=O)N)Cc1c[nH]c2c1cccc2)OCc1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
337.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
337.379g/mol
Monoisotopic Mass:
337.143g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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