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729555-60-6 | L-Phenylalaninamide, L-alanyl-N-[(1R)-1-acetyl-5-aminopentyl]-
CAS No: 729555-60-6 Catalog No: AG005D1E MDL No:
Product Description
Catalog Number:
AG005D1E
Chemical Name:
L-Phenylalaninamide, L-alanyl-N-[(1R)-1-acetyl-5-aminopentyl]-
CAS Number:
729555-60-6
Molecular Formula:
C19H30N4O3
Molecular Weight:
362.4665
IUPAC Name:
(2S)-N-[(3R)-7-amino-2-oxoheptan-3-yl]-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanamide
InChI:
InChI=1S/C19H30N4O3/c1-13(21)18(25)23-17(12-15-8-4-3-5-9-15)19(26)22-16(14(2)24)10-6-7-11-20/h3-5,8-9,13,16-17H,6-7,10-12,20-21H2,1-2H3,(H,22,26)(H,23,25)/t13-,16+,17-/m0/s1
InChI Key:
KDUMGFWXWHDNPU-XKQJLSEDSA-N
SMILES:
NCCCC[C@H](C(=O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
362.232g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
362.474g/mol
Monoisotopic Mass:
362.232g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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