CAS 133156-06-6 | L-Methioninamide, N-(5-amino-1-oxopentyl)-L-phenylalanyl-L-phenylalanyl-L-prolyl-N-methyl-L-leucyl- | CAS Number 133156-06-6

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133156-06-6 | L-Methioninamide, N-(5-amino-1-oxopentyl)-L-phenylalanyl-L-phenylalanyl-L-prolyl-N-methyl-L-leucyl-

CAS No: 133156-06-6 Catalog No: AG0014CQ MDL No:

Product Description

Catalog Number:

AG0014CQ

Chemical Name:

L-Methioninamide, N-(5-amino-1-oxopentyl)-L-phenylalanyl-L-phenylalanyl-L-prolyl-N-methyl-L-leucyl-

CAS Number:

133156-06-6

Molecular Formula:

C40H59N7O6S

Molecular Weight:

766.0048

IUPAC Name:

(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-(5-aminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide

InChI:

InChI=1S/C40H59N7O6S/c1-27(2)24-34(38(51)44-30(36(42)49)20-23-54-4)46(3)40(53)33-18-13-22-47(33)39(52)32(26-29-16-9-6-10-17-29)45-37(50)31(25-28-14-7-5-8-15-28)43-35(48)19-11-12-21-41/h5-10,14-17,27,30-34H,11-13,18-26,41H2,1-4H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t30-,31-,32-,33-,34-/m0/s1

InChI Key:

HQKPTSSZOJLFBZ-LJADHVKFSA-N

SMILES:

CSCC[C@@H](C(=O)N)NC(=O)[C@@H](N(C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C)CC(C)C

Properties

Complexity:

1230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

765.425g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

766.015g/mol

Monoisotopic Mass:

765.425g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

222A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

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Phosphorylation of TRPV1 by neurokinin-1 receptor agonist exaggerates the capsaicin-mediated substance P release from cultured rat dorsal root ganglion neurons.	Neuropharmacology 20081201
Utilization of the least shrew as a rapid and selective screening model for the antiemetic potential and brain penetration of substance P and NK1 receptor antagonists.	Brain research 20080612
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Senktide-induced gerbil foot tapping behaviour is blocked by selective tachykinin NK1 and NK3 receptor antagonists.	European journal of pharmacology 20071222
Activation of the neurokinin-1 receptor by substance P triggers the release of substance P from cultured adult rat dorsal root ganglion neurons.	Molecular pain 20070101
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Identification of single-nucleotide polymorphisms of the human neurokinin 1 receptor gene and pharmacological characterization of a Y192H variant.	The pharmacogenomics journal 20040101
The substance P (NK1) receptor antagonist L-760735 inhibits fear conditioning in gerbils.	Neuropharmacology 20030301
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