CAS 113611-68-0 | L-Phenylalaninamide, L-threonyl-L-asparaginyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-arginyl- | CAS Number 113611-68-0

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113611-68-0 | L-Phenylalaninamide, L-threonyl-L-asparaginyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-arginyl-

CAS No: 113611-68-0 Catalog No: AG00094R MDL No:

Product Description

Catalog Number:

AG00094R

Chemical Name:

L-Phenylalaninamide, L-threonyl-L-asparaginyl-L-arginyl-L-asparaginyl-L-phenylalanyl-L-leucyl-L-arginyl-

CAS Number:

113611-68-0

Molecular Formula:

C48H75N17O11

Molecular Weight:

1066.2164

IUPAC Name:

(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide

InChI:

InChI=1S/C48H75N17O11/c1-25(2)20-32(42(72)59-29(16-10-18-57-47(53)54)40(70)61-31(39(52)69)21-27-12-6-4-7-13-27)62-43(73)33(22-28-14-8-5-9-15-28)63-45(75)34(23-36(49)67)64-41(71)30(17-11-19-58-48(55)56)60-44(74)35(24-37(50)68)65-46(76)38(51)26(3)66/h4-9,12-15,25-26,29-35,38,66H,10-11,16-24,51H2,1-3H3,(H2,49,67)(H2,50,68)(H2,52,69)(H,59,72)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,76)(H4,53,54,57)(H4,55,56,58)/t26-,29+,30+,31+,32+,33+,34+,35+,38+/m1/s1

InChI Key:

YAUWLGCATULGNL-KNECAJLFSA-N

SMILES:

NC(=N)NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CCCNC(=N)N)CC(C)C)Cc1ccccc1)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)N)CC(=O)N

Properties

Complexity:

2020

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

1065.583g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

1066.236g/mol

Monoisotopic Mass:

1065.583g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

508A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-4.7

Literature

Title	Journal
Differential and history-dependent modulation of a stretch receptor in the stomatogastric system of the crab, Cancer borealis.	Journal of neurophysiology 20031201
The control of vascular resistance in the southern rock lobster, Jasus edwardsii (Decapoda: Palinuridae).	Comparative biochemistry and physiology. Part A, Molecular & integrative physiology 20030701
Modulators with convergent cellular actions elicit distinct circuit outputs.	The Journal of neuroscience : the official journal of the Society for Neuroscience 20010601
Purification and characterization of FMRFamidelike immunoreactive substances from the lobster nervous system: isolation and sequence analysis of two closely related peptides.	The Journal of comparative neurology 19871201