CAS 122929-08-2 | L-Aspartamide, 5-oxo-L-prolyl-L-threonyl-L-phenylalanyl-L-glutaminyl-L-tyrosyl-L-seryl-L-arginylglycyl-L-tryptophyl-L-threonyl- | CAS Number 122929-08-2

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122929-08-2 | L-Aspartamide, 5-oxo-L-prolyl-L-threonyl-L-phenylalanyl-L-glutaminyl-L-tyrosyl-L-seryl-L-arginylglycyl-L-tryptophyl-L-threonyl-

CAS No: 122929-08-2 Catalog No: AG000JSN MDL No:MFCD00133199

Product Description

Catalog Number:

AG000JSN

Chemical Name:

L-Aspartamide, 5-oxo-L-prolyl-L-threonyl-L-phenylalanyl-L-glutaminyl-L-tyrosyl-L-seryl-L-arginylglycyl-L-tryptophyl-L-threonyl-

CAS Number:

122929-08-2

Molecular Formula:

C62H84N18O18

Molecular Weight:

1369.4402

MDL Number:

MFCD00133199

IUPAC Name:

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide

InChI:

InChI=1S/C62H84N18O18/c1-30(82)50(60(97)75-41(52(65)89)26-47(64)86)80-58(95)44(25-34-27-69-37-12-7-6-11-36(34)37)72-49(88)28-70-53(90)38(13-8-22-68-62(66)67)73-59(96)45(29-81)78-57(94)42(24-33-14-16-35(84)17-15-33)76-54(91)40(18-20-46(63)85)74-56(93)43(23-32-9-4-3-5-10-32)77-61(98)51(31(2)83)79-55(92)39-19-21-48(87)71-39/h3-7,9-12,14-17,27,30-31,38-45,50-51,69,81-84H,8,13,18-26,28-29H2,1-2H3,(H2,63,85)(H2,64,86)(H2,65,89)(H,70,90)(H,71,87)(H,72,88)(H,73,96)(H,74,93)(H,75,97)(H,76,91)(H,77,98)(H,78,94)(H,79,92)(H,80,95)(H4,66,67,68)/t30-,31-,38+,39+,40+,41+,42+,43+,44+,45+,50+,51+/m1/s1

InChI Key:

UOABGUNWRLWTJU-YPKDOBRCSA-N

SMILES:

OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)[C@H](O)C)Cc1c[nH]c2c1cccc2)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCC(=O)N1)Cc1ccccc1)CCC(=O)N)Cc1ccc(cc1)O

Properties

Complexity:

2840

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

1368.621g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

1369.462g/mol

Monoisotopic Mass:

1368.621g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

611A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-6

Literature

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Identification and functional characterization of two orphan G-protein-coupled receptors for adipokinetic hormones from silkworm Bombyx mori.	The Journal of biological chemistry 20111209
Distribution and characterization of Corazonin in the central nervous system of Triatoma infestans (Insecta: Heteroptera).	Peptides 20110301
Mass spectrometric analysis of peptides in brain neurosecretory cells and neurohemal organs in the adult blowfly, Protophormia terraenovae.	Comparative biochemistry and physiology. Part A, Molecular & integrative physiology 20100201
Biological activity and identification of neuropeptides in the neurosecretory complexes of the cabbage pest insect, Mamestra brassicae (Noctuidae; Lepidoptera).	Acta biologica Hungarica 20081201
Corazonin in insects.	Peptides 20070101
Degradation profile of [His7]-corazonin in the hemolymph of the desert locust Schistocerca gregaria.	Peptides 20060301
Cloning and characterization of a third isoform of corazonin in the honey bee Apis mellifera.	Peptides 20060301
Mass spectrometric analysis of head ganglia and neuroendocrine tissue of larval Galleria mellonella (Arthropoda, Insecta).	Journal of mass spectrometry : JMS 20050201
Hormonal control of insect ecdysis: endocrine cascades for coordinating behavior with physiology.	Vitamins and hormones 20050101
Identification of Drosophila neuropeptide receptors by G protein-coupled receptors-beta-arrestin2 interactions.	The Journal of biological chemistry 20031226
In vivo structure-activity studies on the dark-color-inducing neurohormone of locusts.	The journal of peptide research : official journal of the American Peptide Society 20030901
Comparison of structure-activity relations of corazonin using two different bioassay systems.	Peptides 20030601
Nuclear magnetic resonance (NMR) studies of the dark-color-inducing neurohormone of locusts and corazonin.	Insect biochemistry and molecular biology 20030501
Molecular cloning and functional expression of a Drosophila corazonin receptor.	Biochemical and biophysical research communications 20021018
Presence of corazonin in three insect species, and isolation and identification of [His7]corazonin from Schistocerca americana.	Peptides 19910101
Isolation and structure of corazonin, a cardioactive peptide from the American cockroach.	FEBS letters 19890703