CAS 115918-58-6 | L-Lysine, L-seryl-L-isoleucylglycyl-L-seryl-L-leucyl-L-alanyl- | CAS Number 115918-58-6

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115918-58-6 | L-Lysine, L-seryl-L-isoleucylglycyl-L-seryl-L-leucyl-L-alanyl-

CAS No: 115918-58-6 Catalog No: AG000H3C MDL No:

Product Description

Catalog Number:

AG000H3C

Chemical Name:

L-Lysine, L-seryl-L-isoleucylglycyl-L-seryl-L-leucyl-L-alanyl-

CAS Number:

115918-58-6

Molecular Formula:

C29H54N8O10

Molecular Weight:

674.7867

IUPAC Name:

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]hexanoic acid

InChI:

InChI=1S/C29H54N8O10/c1-6-16(4)23(37-25(42)18(31)13-38)28(45)32-12-22(40)34-21(14-39)27(44)36-20(11-15(2)3)26(43)33-17(5)24(41)35-19(29(46)47)9-7-8-10-30/h15-21,23,38-39H,6-14,30-31H2,1-5H3,(H,32,45)(H,33,43)(H,34,40)(H,35,41)(H,36,44)(H,37,42)(H,46,47)/t16-,17-,18-,19-,20-,21-,23-/m0/s1

InChI Key:

QBDGQXHVLMKNQC-YUBLKVPHSA-N

SMILES:

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

Properties

Complexity:

1060

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

674.396g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

674.797g/mol

Monoisotopic Mass:

674.396g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

304A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-4.6

Literature

Title	Journal
Site-directed conjugation of nonpeptide groups to peptides and proteins via periodate oxidation of a 2-amino alcohol. Application to modification at N-terminal serine.	Bioconjugate chemistry 19920101
Purification and sequencing of the active site tryptic peptide from penicillin-binding protein 1b of Escherichia coli.	Biochemistry 19850702