Cas no 105029-41-2 (Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-,(2S)-)
![Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-,(2S)- structure](https://ossimg.kuujia.com/scimg/105500/105029-41-2x500.png)
105029-41-2 structure
Product Name:Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-,(2S)-
CAS No:105029-41-2
MF:C29H52N10O6
MW:636.7865858078
CID:151832
PubChem ID:122294
Update Time:2024-11-03
Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-,(2S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-,(2S)-
- argiopine
- Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]ami
- Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-...
- N-[5-[3-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propylamino]propylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
- N~1~-[5-({3-[(3-{[N~5~-(diaminomethylidene)-L-ornithyl]amino}propyl)amino]propyl}amino)pentyl]-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide
- argiotoxin
- Argiotoxin636
- GTPL4138
- Butanediamide, N1-(16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl)-2-(((2,4-dihydroxyphenyl)acetyl)amino)-, (S-(R*,R*))-
- argiotoxin 636
- AR 636
- 108687-79-2
- N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide
- (2S)-N-(5-{[3-({3-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]propyl}amino)propyl]amino}pentyl)-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
- 105029-41-2
- CHEMBL1098240
- DTXSID60909308
- AR636
- N~1~-(16,21-Diamino-15-hydroxy-21-imino-6,10,14,20-tetraazahenicos-14-en-1-yl)-2-{[2-(2,4-dihydroxyphenyl)-1-hydroxyethylidene]amino}butanediimidic acid
- (S-(R*,R*))-N1-(16,21-Diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl)-2-(((2,4-dihydroxyphenyl)acetyl)amino)butanediamide
- Q20888492
- Argiotoxin-636
- CHEBI:34541
- ArgTX-636
- Argiopin
- AR-636
- (2S)-N-[5-[3-[3-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]propylamino]propylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
- LU7
- (2S)-N-[5-[3-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propylamino]propylamino]pentyl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]butanediamide
- BDBM50316373
- SCHEMBL17014644
-
- Inchi： 1S/C29H52N10O6/c30-22(7-4-15-38-29(32)33)27(44)36-16-6-13-35-12-5-11-34-10-2-1-3-14-37-28(45)23(19-25(31)42)39-26(43)17-20-8-9-21(40)18-24(20)41/h8-9,18,22-23,34-35,40-41H,1-7,10-17,19,30H2,(H2,31,42)(H,36,44)(H,37,45)(H,39,43)(H4,32,33,38)/t22-,23-/m0/s1
- InChI Key： FTNICLJXPYLDAH-GOTSBHOMSA-N
- SMILES： O=C([C@H](CC(N)=O)NC(CC1C=CC(=CC=1O)O)=O)NCCCCCNCCCNCCCNC([C@H](CCC/N=C(\N)/N)N)=O
Computed Properties
- Exact Mass: 636.40756
- Monoisotopic Mass: 636.407129
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 45
- Rotatable Bond Count: 25
- Complexity: 905
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 285
- XLogP3: -2.8
Experimental Properties
- Density: 1.35
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.62
- PSA: 282.83
- LogP: 4.29680
Butanediamide,N1-[(16S)-16,21-diamino-21-imino-15-oxo-6,10,14,20-tetraazaheneicos-1-yl]-2-[[2-(2,4-dihydroxyphenyl)acetyl]amino]-,(2S)- Related Literature
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Dan-Bi Sung,Jong Seok Lee RSC Med. Chem. 2023 14 412
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Roberto G. S. Berlinck,Stelamar Romminger Nat. Prod. Rep. 2016 33 456
-
Toshiyuki Kowada,Hiroki Maeda,Kazuya Kikuchi Chem. Soc. Rev. 2015 44 4953
-
4. Synthesis of (1S,2R)-1-phenyl-2-[(S)-1-aminoalkyl]-N,N-diethylcyclopropanecarboxamides as novel NMDA receptor antagonists having a unique NMDA receptor subtype selectivityYuji Kazuta,Ryuichi Tsujita,Shigeo Uchino,Noriko Kamiyama,Daisuke Mochizuki,Kanako Yamashita,Yutaka Ohmori,Akitake Yamashita,Tamotsu Yamamoto,Shinich Kohsaka,Akira Matsuda,Satoshi Shuto J. Chem. Soc. Perkin Trans. 1 2002 1199
-
Michael North Contemp. Org. Synth. 1996 3 323
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