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101820-46-6 | Glycine, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-N-(phenylmethyl)-
CAS No: 101820-46-6 Catalog No: AG0005MU MDL No:
Product Description
Catalog Number:
AG0005MU
Chemical Name:
Glycine, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-N-(phenylmethyl)-
CAS Number:
101820-46-6
Molecular Formula:
C24H30N2O5
Molecular Weight:
426.5054
IUPAC Name:
2-[benzyl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid
InChI:
InChI=1S/C24H30N2O5/c1-3-31-24(30)21(15-14-19-10-6-4-7-11-19)25-18(2)23(29)26(17-22(27)28)16-20-12-8-5-9-13-20/h4-13,18,21,25H,3,14-17H2,1-2H3,(H,27,28)/t18-,21-/m0/s1
InChI Key:
IKWSMOBSRGJBSI-RXVVDRJESA-N
SMILES:
CCOC(=O)[C@@H](N[C@H](C(=O)N(Cc1ccccc1)CC(=O)O)C)CCc1ccccc1
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
426.215g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
426.513g/mol
Monoisotopic Mass:
426.215g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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