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250789-27-6 | L-Aspartic acid, N-acetylglycyl-4-aminobenzoyl- (9CI)
CAS No: 250789-27-6 Catalog No: AG002QEI MDL No:
Product Description
Catalog Number:
AG002QEI
Chemical Name:
L-Aspartic acid, N-acetylglycyl-4-aminobenzoyl- (9CI)
CAS Number:
250789-27-6
Molecular Formula:
C15H17N3O7
Molecular Weight:
351.3114
IUPAC Name:
(2S)-2-[(2-acetamidoacetyl)-(4-aminobenzoyl)amino]butanedioic acid
InChI:
InChI=1S/C15H17N3O7/c1-8(19)17-7-12(20)18(11(15(24)25)6-13(21)22)14(23)9-2-4-10(16)5-3-9/h2-5,11H,6-7,16H2,1H3,(H,17,19)(H,21,22)(H,24,25)/t11-/m0/s1
InChI Key:
JWKHXQHZAXFUHP-NSHDSACASA-N
SMILES:
OC(=O)C[C@H](N(C(=O)c1ccc(cc1)N)C(=O)CNC(=O)C)C(=O)O
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
351.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
351.315g/mol
Monoisotopic Mass:
351.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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