CAS 123689-72-5 | L-Lysinamide, L-histidyl-D-arginyl-L-alanyl-L-tryptophyl-D-phenylalanyl- | CAS Number 123689-72-5

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123689-72-5 | L-Lysinamide, L-histidyl-D-arginyl-L-alanyl-L-tryptophyl-D-phenylalanyl-

CAS No: 123689-72-5 Catalog No: AG000KYJ MDL No:

Product Description

Catalog Number:

AG000KYJ

Chemical Name:

L-Lysinamide, L-histidyl-D-arginyl-L-alanyl-L-tryptophyl-D-phenylalanyl-

CAS Number:

123689-72-5

Molecular Formula:

C41H58N14O6

Molecular Weight:

842.9894

IUPAC Name:

(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide

InChI:

InChI=1S/C41H58N14O6/c1-24(51-38(59)32(15-9-17-48-41(45)46)53-37(58)29(43)20-27-22-47-23-50-27)36(57)54-34(19-26-21-49-30-13-6-5-12-28(26)30)40(61)55-33(18-25-10-3-2-4-11-25)39(60)52-31(35(44)56)14-7-8-16-42/h2-6,10-13,21-24,29,31-34,49H,7-9,14-20,42-43H2,1H3,(H2,44,56)(H,47,50)(H,51,59)(H,52,60)(H,53,58)(H,54,57)(H,55,61)(H4,45,46,48)/t24-,29-,31-,32+,33+,34-/m0/s1

InChI Key:

CGVQCSBCAOKPQQ-MIZKZNAHSA-N

SMILES:

NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)N)CCCNC(=N)N)C

Properties

Complexity:

1480

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

842.466g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

843.007g/mol

Monoisotopic Mass:

842.466g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

350A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.8

Literature

Title	Journal
Comparative biological activities of alpha-MSH antagonists in vertebrate pigment cells.	General and comparative endocrinology 19970301
Discovery of an alpha-melanotropin antagonist effective in vivo.	Peptides 19940101