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827613-03-6 | Glycine, N-[(benzoylamino)carbonyl]-L-leucyl-
CAS No: 827613-03-6 Catalog No: AG0056Z6 MDL No:
Product Description
Catalog Number:
AG0056Z6
Chemical Name:
Glycine, N-[(benzoylamino)carbonyl]-L-leucyl-
CAS Number:
827613-03-6
Molecular Formula:
C16H21N3O5
Molecular Weight:
335.3550
IUPAC Name:
2-[[(2S)-2-(benzoylcarbamoylamino)-4-methylpentanoyl]amino]acetic acid
InChI:
InChI=1S/C16H21N3O5/c1-10(2)8-12(15(23)17-9-13(20)21)18-16(24)19-14(22)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,23)(H,20,21)(H2,18,19,22,24)/t12-/m0/s1
InChI Key:
NXCGDHLQSJUENA-LBPRGKRZSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)O)NC(=O)NC(=O)c1ccccc1)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
335.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
335.36g/mol
Monoisotopic Mass:
335.148g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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