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820239-43-8 | L-Leucine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanylglycyl-
CAS No: 820239-43-8 Catalog No: AG004Y6H MDL No:
Product Description
Catalog Number:
AG004Y6H
Chemical Name:
L-Leucine, N-[(phenylmethoxy)carbonyl]-L-phenylalanyl-L-alanylglycyl-
CAS Number:
820239-43-8
Molecular Formula:
C28H36N4O7
Molecular Weight:
540.6080
IUPAC Name:
(2S)-4-methyl-2-[[2-[[(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]acetyl]amino]pentanoic acid
InChI:
InChI=1S/C28H36N4O7/c1-18(2)14-23(27(36)37)31-24(33)16-29-25(34)19(3)30-26(35)22(15-20-10-6-4-7-11-20)32-28(38)39-17-21-12-8-5-9-13-21/h4-13,18-19,22-23H,14-17H2,1-3H3,(H,29,34)(H,30,35)(H,31,33)(H,32,38)(H,36,37)/t19-,22-,23-/m0/s1
InChI Key:
MFKPUPWIWLUQTH-VJBMBRPKSA-N
SMILES:
CC(C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C)C
Properties
Complexity:
823
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
540.258g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
540.617g/mol
Monoisotopic Mass:
540.258g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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