CAS 147139-72-8 | L-Lysine, L-phenylalanyl-L-leucyl-L-seryl-L-tyrosyl- | CAS Number 147139-72-8

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147139-72-8 | L-Lysine, L-phenylalanyl-L-leucyl-L-seryl-L-tyrosyl-

CAS No: 147139-72-8 Catalog No: AG001ENF MDL No:

Product Description

Catalog Number:

AG001ENF

Chemical Name:

L-Lysine, L-phenylalanyl-L-leucyl-L-seryl-L-tyrosyl-

CAS Number:

147139-72-8

Molecular Formula:

C33H48N6O8

Molecular Weight:

656.7696

IUPAC Name:

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

InChI:

InChI=1S/C33H48N6O8/c1-20(2)16-26(37-29(42)24(35)17-21-8-4-3-5-9-21)30(43)39-28(19-40)32(45)38-27(18-22-11-13-23(41)14-12-22)31(44)36-25(33(46)47)10-6-7-15-34/h3-5,8-9,11-14,20,24-28,40-41H,6-7,10,15-19,34-35H2,1-2H3,(H,36,44)(H,37,42)(H,38,45)(H,39,43)(H,46,47)/t24-,25-,26-,27-,28-/m0/s1

InChI Key:

VCVLAQBCXNXEMF-XLIKFSOKSA-N

SMILES:

NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)CO

Properties

Complexity:

1000

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

656.353g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

656.781g/mol

Monoisotopic Mass:

656.353g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

246A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-2.8

Literature

Title	Journal
Crystal structure of a complex formed between a snake venom phospholipase A(2) and a potent peptide inhibitor Phe-Leu-Ser-Tyr-Lys at 1.8 A resolution.	The Journal of biological chemistry 20021025