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80165-13-5 | L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-L-alanyl-
CAS No: 80165-13-5 Catalog No: AG005CK4 MDL No:
Product Description
Catalog Number:
AG005CK4
Chemical Name:
L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-L-alanyl-
CAS Number:
80165-13-5
Molecular Formula:
C22H34N4O5
Molecular Weight:
434.5292
IUPAC Name:
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
InChI:
InChI=1S/C22H34N4O5/c1-13(2)11-17(19(23)27)25-20(28)15(5)24-21(29)18(14(3)4)26-22(30)31-12-16-9-7-6-8-10-16/h6-10,13-15,17-18H,11-12H2,1-5H3,(H2,23,27)(H,24,29)(H,25,28)(H,26,30)/t15-,17-,18-/m0/s1
InChI Key:
PEMSNIYJEZQDIG-SZMVWBNQSA-N
SMILES:
CC(C[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)C)C
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
434.253g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
434.537g/mol
Monoisotopic Mass:
434.253g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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