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87171-07-1 | L-Proline, 1-[N-[5-oxo-1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-leucyl]-
CAS No: 87171-07-1 Catalog No: AG004NN1 MDL No:
Product Description
Catalog Number:
AG004NN1
Chemical Name:
L-Proline, 1-[N-[5-oxo-1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-leucyl]-
CAS Number:
87171-07-1
Molecular Formula:
C24H31N3O7
Molecular Weight:
473.5188
IUPAC Name:
(2S)-1-[(2S)-4-methyl-2-[[(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C24H31N3O7/c1-15(2)13-17(22(30)26-12-6-9-19(26)23(31)32)25-21(29)18-10-11-20(28)27(18)24(33)34-14-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,6,9-14H2,1-2H3,(H,25,29)(H,31,32)/t17-,18-,19-/m0/s1
InChI Key:
HNFYQGRPGJPPOA-FHWLQOOXSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
473.216g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
473.526g/mol
Monoisotopic Mass:
473.216g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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