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827613-14-9 | Glycine, N-[(benzoylamino)carbonyl]-L-alanyl-
CAS No: 827613-14-9 Catalog No: AG004Y55 MDL No:
Product Description
Catalog Number:
AG004Y55
Chemical Name:
Glycine, N-[(benzoylamino)carbonyl]-L-alanyl-
CAS Number:
827613-14-9
Molecular Formula:
C13H15N3O5
Molecular Weight:
293.2753
IUPAC Name:
2-[[(2S)-2-(benzoylcarbamoylamino)propanoyl]amino]acetic acid
InChI:
InChI=1S/C13H15N3O5/c1-8(11(19)14-7-10(17)18)15-13(21)16-12(20)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,19)(H,17,18)(H2,15,16,20,21)/t8-/m0/s1
InChI Key:
XDSMAMWZPMUTPV-QMMMGPOBSA-N
SMILES:
O=C(NC(=O)c1ccccc1)N[C@H](C(=O)NCC(=O)O)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
293.279g/mol
Monoisotopic Mass:
293.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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