CAS 122063-01-8 | L-Methioninamide, L-α-aspartyl-L-seryl-L-phenylalanyl-L-valyl-β-alanyl-L-leucyl- | CAS Number 122063-01-8

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122063-01-8 | L-Methioninamide, L-α-aspartyl-L-seryl-L-phenylalanyl-L-valyl-β-alanyl-L-leucyl-

CAS No: 122063-01-8 Catalog No: AG0016P9 MDL No:

Product Description

Catalog Number:

AG0016P9

Chemical Name:

L-Methioninamide, L-α-aspartyl-L-seryl-L-phenylalanyl-L-valyl-β-alanyl-L-leucyl-

CAS Number:

122063-01-8

Molecular Formula:

C35H56N8O10S

Molecular Weight:

780.9317

IUPAC Name:

(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

InChI:

InChI=1S/C35H56N8O10S/c1-19(2)15-24(32(50)40-23(30(37)48)12-14-54-5)39-27(45)11-13-38-35(53)29(20(3)4)43-33(51)25(16-21-9-7-6-8-10-21)41-34(52)26(18-44)42-31(49)22(36)17-28(46)47/h6-10,19-20,22-26,29,44H,11-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24-,25-,26-,29-/m0/s1

InChI Key:

CKNPSJOMUQBPLA-WTWMNNMUSA-N

SMILES:

CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CO)CC(C)C

Properties

Complexity:

1280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

780.384g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

780.939g/mol

Monoisotopic Mass:

780.384g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

327A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-3.1

Literature

Title	Journal
Melatonin inhibits tachykinin NK₂ receptor-triggered 5-HT release from guinea pig isolated colonic mucosa.	British journal of pharmacology 20110301
Activation of endogenous GABAA channels on airway smooth muscle potentiates isoproterenol-mediated relaxation.	American journal of physiology. Lung cellular and molecular physiology 20081201
Neurokinin 2 receptor-mediated activation of protein kinase C modulates capsaicin responses in DRG neurons from adult rats.	The European journal of neuroscience 20080601
Expression and coupling of neurokinin receptor subtypes to inositol phosphate and calcium signaling pathways in human airway smooth muscle cells.	American journal of physiology. Lung cellular and molecular physiology 20080301
Effect of melatonin on the vasopressin secretion as influenced by tachykinin NK-1 receptor agonist and antagonist: in vivo and in vitro studies.	Journal of physiology and pharmacology : an official journal of the Polish Physiological Society 20071201
Role for NK(1) and NK(2) receptors in the motor activity in mouse colon.	European journal of pharmacology 20070910
Neurokinins enhance excitability in capsaicin-responsive DRG neurons.	Experimental neurology 20070501
MEN15596, a novel nonpeptide tachykinin NK2 receptor antagonist.	European journal of pharmacology 20061107
The ventral tegmental area as a putative target for tachykinins in cardiovascular regulation.	British journal of pharmacology 20050701
Impaired capsaicin and neurokinin-evoked colonic motility in inflammatory bowel disease.	Journal of gastroenterology and hepatology 20050501
Action of tachykinins in the rat hippocampus: modulation of inhibitory synaptic transmission.	The European journal of neuroscience 20030601
Effect of YM-44781, YM-44778 and YM-49598, novel tachykinin antagonists, in a drug-induced bladder contraction model.	Pharmacology 20020501
Tachykinin NK(2) receptors and enhancement of cholinergic transmission in the inflamed rat colon: an in vivo motility study.	British journal of pharmacology 20010801
Tachykinin activation of human monocytes from patients with rheumatoid arthritis: in vitro and ex-vivo effects of cyclosporin A.	Neuropeptides 20010401
Tachykinins contribute to nerve-mediated contractions in the human esophagus.	Gastroenterology 20010101