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2503-26-6 | Cyclo[N-methyl-L-alanyl-β-alanyl-(2R)-2-hydroxy-4-methylpentanoyl-L-prolyl-L-isoleucyl-N-methyl-L-valyl]
CAS No: 2503-26-6 Catalog No: AG002Q88 MDL No:
Product Description
Catalog Number:
AG002Q88
Chemical Name:
Cyclo[N-methyl-L-alanyl-β-alanyl-(2R)-2-hydroxy-4-methylpentanoyl-L-prolyl-L-isoleucyl-N-methyl-L-valyl]
CAS Number:
2503-26-6
Molecular Formula:
C30H51N5O7
Molecular Weight:
593.7552
IUPAC Name:
(3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
InChI:
InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38)/t19-,20-,21-,22+,24-,25-/m0/s1
InChI Key:
GNBHVMBELHWUIF-VTSYCQLTSA-N
SMILES:
CC[C@@H]([C@@H]1NC(=O)[C@@]2(O)N(CCC2C(=O)CCNC(=O)[C@@H](N(C(=O)[C@@H](N(C1=O)C)C(C)C)C)C)C(=O)CCC(C)C)C
UNII:
7R6CR62KFE
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
593.379g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
593.766g/mol
Monoisotopic Mass:
593.379g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Destruxin B inhibits hepatocellular carcinoma cell growth through modulation of the Wnt/β-catenin signaling pathway and epithelial-mesenchymal transition. | Toxicology in vitro : an international journal published in association with BIBRA 20140601 |
| Apoptotic toxicity of destruxin B in human non-Hodgkin lymphoma cells. | Toxicology in vitro : an international journal published in association with BIBRA 20130901 |
| Preclinical evaluation of destruxin B as a novel Wnt signaling target suppressing proliferation and metastasis of colorectal cancer using non-invasive bioluminescence imaging. | Toxicology and applied pharmacology 20120515 |
| Formation of exudate droplets by Metarhizium anisopliae and the presence of destruxins. | Mycologia 20100101 |
| Transformation of the host-selective toxin destruxin B by wild crucifers: probing a detoxification pathway. | Phytochemistry 20031101 |
| Concurrence of losing a chromosome and the ability to produce destruxins in a mutant of Metarhizium anisopliae. | FEMS microbiology letters 20030926 |
| Probing host-selective phytotoxicity: synthesis of destruxin B and several natural analogues. | The Journal of organic chemistry 20011116 |
| Effects of efrapeptin and destruxin, metabolites of entomogenous fungi, on the hydrolytic activity of a vacuolar type ATPase identified on the brush border membrane vesicles of Galleria mellonella midgut and on plant membrane bound hydrolytic enzymes. | Biochimica et biophysica acta 20010209 |
| beta-Alanyl-beta-alanine in cyclic beta-turned peptides. | Biopolymers 19910901 |
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