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76337-94-5 | N-(2-AMINOACETYL)-2-[[4-CHLORO-2-(2-CHLOROBENZOYL)PHENYL]-METHYL-AMINO]-N-PHENETHYL-ACETAMIDE; OXALIC ACID
CAS No: 76337-94-5 Catalog No: AG005DZ9 MDL No:
Product Description
Catalog Number:
AG005DZ9
Chemical Name:
N-(2-AMINOACETYL)-2-[[4-CHLORO-2-(2-CHLOROBENZOYL)PHENYL]-METHYL-AMINO]-N-PHENETHYL-ACETAMIDE; OXALIC ACID
CAS Number:
76337-94-5
Molecular Formula:
C28H27Cl2N3O7
Molecular Weight:
588.4359
IUPAC Name:
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]acetyl]-N-(2-phenylethyl)acetamide;oxalic acid
InChI:
InChI=1S/C26H25Cl2N3O3.C2H2O4/c1-30(17-25(33)31(24(32)16-29)14-13-18-7-3-2-4-8-18)23-12-11-19(27)15-21(23)26(34)20-9-5-6-10-22(20)28;3-1(4)2(5)6/h2-12,15H,13-14,16-17,29H2,1H3;(H,3,4)(H,5,6)
InChI Key:
LQLKLNKPBITKGD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCC(=O)N(C(=O)CN(c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C)CCc1ccccc1
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
587.123g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
588.438g/mol
Monoisotopic Mass:
587.123g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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