CAS 160161-61-5 | L-Alaninamide,3-(1-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-valyl-L-cysteinyl-3-(1-naphthalenyl)-, cyclic (2?7)-disulfide | CAS Number 160161-61-5

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160161-61-5 | L-Alaninamide,3-(1-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-valyl-L-cysteinyl-3-(1-naphthalenyl)-, cyclic (2?7)-disulfide

CAS No: 160161-61-5 Catalog No: AG01FGAZ MDL No:

Product Description

Catalog Number:

AG01FGAZ

Chemical Name:

L-Alaninamide,3-(1-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-valyl-L-cysteinyl-3-(1-naphthalenyl)-, cyclic (2?7)-disulfide

CAS Number:

160161-61-5

Molecular Formula:

C62H71N11O9S2

Molecular Weight:

1178.4254

IUPAC Name:

(4R,7S,10S,13R,16S,19R)-N-[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

InChI:

InChI=1S/C62H71N11O9S2/c1-35(2)54-62(82)72-53(60(80)68-49(55(65)75)30-38-18-22-40-11-4-6-13-42(40)27-38)34-84-83-33-52(71-56(76)46(64)28-37-17-21-39-10-3-5-12-41(39)26-37)61(81)69-50(29-36-19-23-44(74)24-20-36)58(78)70-51(31-43-32-66-47-15-8-7-14-45(43)47)59(79)67-48(16-9-25-63)57(77)73-54/h3-8,10-15,17-24,26-27,32,35,46,48-54,66,74H,9,16,25,28-31,33-34,63-64H2,1-2H3,(H2,65,75)(H,67,79)(H,68,80)(H,69,81)(H,70,78)(H,71,76)(H,72,82)(H,73,77)/t46-,48+,49-,50+,51-,52+,53+,54+/m1/s1

InChI Key:

GLVLDCUADDSQSK-JGRJXKJCSA-N

SMILES:

NCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@@H](C(=O)N)Cc1ccc2c(c1)cccc2)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)N)Cc1c[nH]c2c1cccc2

Properties

Complexity:

2230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

1177.488g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

1178.438g/mol

Monoisotopic Mass:

1177.488g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

385A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
Urotensin II inhibits carotid sinus baroreflex in anesthetized male rats.	Acta pharmacologica Sinica 20070201
Brain phospholipase C/diacylglycerol lipase are involved in bombesin BB2 receptor-mediated activation of sympatho-adrenomedullary outflow in rats.	European journal of pharmacology 20050509
Urotensin-II-mediated cardiomyocyte hypertrophy: effect of receptor antagonism and role of inflammatory mediators.	Naunyn-Schmiedeberg's archives of pharmacology 20041001
[Development of therapeutic agents related to urotensin II].	Nihon rinsho. Japanese journal of clinical medicine 20040901
The neuromedin B receptor antagonist, BIM-23127, is a potent antagonist at human and rat urotensin-II receptors.	British journal of pharmacology 20030501
Role of different bombesin receptor subtypes mediating contractile activity in cat upper gastrointestinal tract.	Peptides 19980101