CAS 101510-87-6 | L-Lysine, glycyl-L-leucyl-L-leucyl-L-α-aspartyl-L-leucyl- | CAS Number 101510-87-6

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101510-87-6 | L-Lysine, glycyl-L-leucyl-L-leucyl-L-α-aspartyl-L-leucyl-

CAS No: 101510-87-6 Catalog No: AG0004OH MDL No:

Product Description

Catalog Number:

AG0004OH

Chemical Name:

L-Lysine, glycyl-L-leucyl-L-leucyl-L-α-aspartyl-L-leucyl-

CAS Number:

101510-87-6

Molecular Formula:

C30H55N7O9

Molecular Weight:

657.7992

IUPAC Name:

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

InChI:

InChI=1S/C30H55N7O9/c1-16(2)11-20(33-24(38)15-32)26(41)35-22(13-18(5)6)28(43)37-23(14-25(39)40)29(44)36-21(12-17(3)4)27(42)34-19(30(45)46)9-7-8-10-31/h16-23H,7-15,31-32H2,1-6H3,(H,33,38)(H,34,42)(H,35,41)(H,36,44)(H,37,43)(H,39,40)(H,45,46)/t19-,20-,21-,22-,23-/m0/s1

InChI Key:

UNECOKLPXZTPOD-VUBDRERZSA-N

SMILES:

NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CC(C)C)CC(C)C)CC(=O)O)CC(C)C

Properties

Complexity:

1040

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

657.406g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

657.81g/mol

Monoisotopic Mass:

657.406g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

272A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-4.1

Literature

Title	Journal
Structure-activity relationships of a series of analogs of the endozepine octadecaneuropeptide (ODN(11)(-)(18)) on neurosteroid biosynthesis by hypothalamic explants.	Journal of medicinal chemistry 20070628
Study of an octadecaneuropeptide derived from diazepam binding inhibitor (DBI): biological activity and presence in rat brain.	Proceedings of the National Academy of Sciences of the United States of America 19860201