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13171-94-3 | L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS No: 13171-94-3 Catalog No: AG000ZM2 MDL No:
Product Description
Catalog Number:
AG000ZM2
Chemical Name:
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-
CAS Number:
13171-94-3
Molecular Formula:
C23H29N3O4
Molecular Weight:
411.4941
IUPAC Name:
benzyl N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
InChI:
InChI=1S/C23H29N3O4/c1-16(2)13-19(21(24)27)25-22(28)20(14-17-9-5-3-6-10-17)26-23(29)30-15-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3,(H2,24,27)(H,25,28)(H,26,29)/t19-,20-/m0/s1
InChI Key:
RPHKPDYJGQVFLN-PMACEKPBSA-N
SMILES:
CC(C[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
411.502g/mol
Monoisotopic Mass:
411.216g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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