N6-[(2R,5S)-5-Amino-5-carboxy-2-hydroxypentyl]-5-oxo-L-lysine (Impurity) - CAS 75658-82-1

Name: N6-[(2R,5S)-5-Amino-5-carboxy-2-hydroxypentyl]-5-oxo-L-lysine (Impurity)
Brand: BOC Sciences
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Catalog:	BB074931
Product Name:	N6-[(2R,5S)-5-Amino-5-carboxy-2-hydroxypentyl]-5-oxo-L-lysine (Impurity)
CAS:	75658-82-1
Synonyms:	N6-[(2R,5S)-5-Amino-5-carboxy-2-hydroxypentyl]-5-oxo-L-lysine (Impurity); (2S,5R)-2-Amino-6-[[(5S)-5-amino-5-carboxy-2-oxopentyl]amino]-5-hydroxyhexanoic acid; (S)-2-Amino-6-(((2R,5S)-5-amino-5-carboxy-2-hydroxypentyl)amino)-5-oxohexanoic acid

Technical Data

IUPAC Name:	(2S,5R)-2-amino-6-[[(5S)-5-amino-5-carboxy-2-oxopentyl]amino]-5-hydroxyhexanoic acid
Molecular Weight:	305.33
Molecular Formula:	C12H23N3O6
Canonical SMILES:	C(CC(C(=O)O)N)C(CNCC(=O)CCC(C(=O)O)N)O
InChI:	InChI=1S/C12H23N3O6/c13-9(11(18)19)3-1-7(16)5-15-6-8(17)2-4-10(14)12(20)21/h7,9-10,15-16H,1-6,13-14H2,(H,18,19)(H,20,21)/t7-,9+,10+/m1/s1
InChI Key:	DURWCOJUBQZWSY-JEZHCXPESA-N

Complexity:	363
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	305.15868546
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	6
Isotope Atom Count:	0
Monoisotopic Mass:	305.15868546
Rotatable Bond Count:	12
Topological Polar Surface Area:	176Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-7.2