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87270-38-0 | (2R)-2-[[2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-INDOL-3-YL]ACETYL]A MINO]-3-METHYLSULFANYL-PROPANOIC ACID
CAS No: 87270-38-0 Catalog No: AG004LTF MDL No:
Product Description
Catalog Number:
AG004LTF
Chemical Name:
(2R)-2-[[2-[1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-INDOL-3-YL]ACETYL]A MINO]-3-METHYLSULFANYL-PROPANOIC ACID
CAS Number:
87270-38-0
Molecular Formula:
C23H23ClN2O5S
Molecular Weight:
474.9571
IUPAC Name:
(2R)-2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-methylsulfanylpropanoic acid
InChI:
InChI=1S/C23H23ClN2O5S/c1-13-17(11-21(27)25-19(12-32-3)23(29)30)18-10-16(31-2)8-9-20(18)26(13)22(28)14-4-6-15(24)7-5-14/h4-10,19H,11-12H2,1-3H3,(H,25,27)(H,29,30)/t19-/m0/s1
InChI Key:
XWAHPUCZLAPTPG-IBGZPJMESA-N
SMILES:
CSC[C@@H](C(=O)O)NC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
474.102g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
474.956g/mol
Monoisotopic Mass:
474.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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