CAS 164931-14-0 | L-Leucinamide, N-(11-amino-1-oxoundecyl)-L-seryl-L-lysyl- (9CI) | CAS Number 164931-14-0

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164931-14-0 | L-Leucinamide, N-(11-amino-1-oxoundecyl)-L-seryl-L-lysyl- (9CI)

CAS No: 164931-14-0 Catalog No: AG001V5R MDL No:

Product Description

Catalog Number:

AG001V5R

Chemical Name:

L-Leucinamide, N-(11-amino-1-oxoundecyl)-L-seryl-L-lysyl- (9CI)

CAS Number:

164931-14-0

Molecular Formula:

C26H52N6O5

Molecular Weight:

528.7283

IUPAC Name:

11-amino-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]undecanamide

InChI:

InChI=1S/C26H52N6O5/c1-19(2)17-21(24(29)35)32-25(36)20(13-10-12-16-28)31-26(37)22(18-33)30-23(34)14-9-7-5-3-4-6-8-11-15-27/h19-22,33H,3-18,27-28H2,1-2H3,(H2,29,35)(H,30,34)(H,31,37)(H,32,36)/t20-,21-,22-/m0/s1

InChI Key:

UQHVYWHJXJHNDJ-FKBYEOEOSA-N

SMILES:

NCCCC[C@@H](C(=O)N[C@H](C(=O)N)CC(C)C)NC(=O)[C@@H](NC(=O)CCCCCCCCCCN)CO

Properties

Complexity:

661

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

528.4g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

528.739g/mol

Monoisotopic Mass:

528.4g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

203A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Conformationally constrained [p-(omega-aminoalkyl)phenacetyl]-L-seryl-L-lysyl dipeptide amides as potent peptidomimetic inhibitors of Candida albicans and human myristoyl-CoA:protein N-myristoyl transferase.	Journal of medicinal chemistry 19970509
Design and syntheses of potent and selective dipeptide inhibitors of Candida albicans myristoyl-CoA:protein N-myristoyltransferase.	Journal of medicinal chemistry 19950526