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Lobradimil

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Name

Lobradimil

EINECS
CAS No. 159768-75-9 Density 1.53 g/cm3
Solubility Melting Point
Formula C49H75N15O12S Boiling Point
Molecular Weight 1098.2781 [g/mol] Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 159768-75-9 (L-Arginine,L-arginyl-L-prolyl-(4R)-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-prolyl-O-methyl-L-tyrosyl-y(CH2-NH)-) Hazard Symbols
Synonyms

Bradykinin,3-(trans-4-hydroxy-L-proline)-5-[3-(2-thienyl)-L-alanine]-8-de-L-phenylalanine-9-[N2-[2-amino-3-(4-methoxyphenyl)propyl]-L-arginine]-,(S)-;60: PN: WO03065997 SEQID: 90 unclaimed protein;A 7;A 7 (peptide);Cereport;Labradimil;Lobradimil;RMP 7;

 

Lobradimil Specification

The Lobradimil, its cas register number is 159768-75-9. It also can be called as N(sup 2)-((S)-2-(L-Arginyl-L-prolyl-trans-4-hydroxy-L-prolyglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-prolinamido)-3-(p-methoxyphenyl)propyl)-L-arginine and the IUPAC name about this chemicals is 2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-Amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]
pyrrolidine-2-carbonyl]amino]-3-(4-methoxyphenyl)propyl]amino]-5-(diaminomethylideneamino)pentanoic acid. Classification Code about this chemical are Adjuvant,  Bradykinin Receptor Agonist, Receptor-Mediated Permeabiliser.

Following are the chemical properties about Lobradimil: (1)#H bond acceptors: 27; (2)#H bond donors: 18; (3)#Freely Rotating Bonds: 32; (4)Polar Surface Area: 268.56Å2; (5)Index of Refraction: 1.702; (6)Molar Refractivity: 276.84 cm3; (7)Molar Volume: 714.1 cm3; (8)Polarizability: 109.75x10-24cm3; (9)Surface Tension: 70.9 dyne/cm

This chemical can be described computed from structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)CC(CNC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC3=CC=CS3)NC(=O)CNC(=O)C4CC(CN4C(=O)C5CCCN5C(=O)C(CCCN=C(N)N)N)O
(2)InChI: InChI=1S/C49H75N15O12S/c1-76-31-14-12-28(13-15-31)21-29(24-57-34(47(74)75)9-3-17-56-49(53)54)59-43(70)37-10-4-18-62(37)45(72)36(27-65)61-41(68)35(23-32-7-6-20-77-32)60-40(67)25-58-42(69)39-22-30(66)26-64(39)46(73)38-11-5-19-63(38)44(71)33(50)8-2-16-55-48(51)52/h6-7,12-15,20,29-30,33-39,57,65-66H,2-5,8-11,16-19,21-27,50H2,1H3,(H,58,69)(H,59,70)(H,60,67)(H,61,68)(H,74,75)(H4,51,52,55)(H4,53,54,56)
(3)InChIKey: IDXCXSCCZNCXCL-UHFFFAOYSA-N

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