Chemical Compound
(2S,3S)-3-Methyl-2-((((3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)pentanoic acid
CAS Registry Number
184682-36-8
Primary record
(2S,3S)-3-Methyl-2-((((3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)pentanoic acid
- 库存
- 8,500 克
- 纯度
- 98.4 %
- CAS
- 184682-36-8
化合物标识与属性
- CAS
- 184682-36-8
- PubChem CID
- 15342340
- SMILES
- CC[C@H](C)[C@@H](C(=O)O)NC(=O)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCS(=O)(=O)C)CCC2=CC=CC=C2)C)CCC3=CC=C(C=C3)O)COC(=O)C
- Canonical SMILES
- CC[C@H](C)[C@H](NC(=O)N[C@@H]1CCCCNC(=O)[C@H](COC(C)=O)NC(=O)[C@H](CCc2ccc(O)cc2)N(C)C(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCS(C)(=O)=O)NC1=O)C(=O)O
名称与同义词
- Nodulapeptin A
- RefChem:166341
- CHEBI:226175
- DTXSID901335247
- 184682-36-8
- (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfonyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
- (2S,3S)-2-(((3S,6S,9S,12S,15R)-3-(acetyloxymethyl)-6-(2-(4-hydroxyphenyl)ethyl)-7-methyl-12-(2-methylsulfonylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl)carbamoylamino)-3-methylpentanoic acid
- (2S,3S)-2-[[(3S,6S,9S,12S,15R)-3-(acetyloxymethyl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-12-(2-methylsulfonylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
- (2S,3S)-2-[[(3S,6S,9S,12S,15R)-3-(acetyloxymethyl)-6-[2-(4-hydroxyphenyl)ethyl]-7-methyl-12-(2-methylsulonylethyl)-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
- (2S,3S)-3-Methyl-2-((((3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-12-(2-methanesulfonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)pentanoate
- (2S,3S)-3-Methyl-2-((((3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)pentanoate
- (2S,3S)-3-Methyl-2-((((3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-(2-(4-hydroxyphenyl)ethyl)-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl)-C-hydroxycarbonimidoyl)amino)pentanoic acid
- (2S,3S)-3-Methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulfonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoate
- (2S,3S)-3-Methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoate
- (2S,3S)-3-Methyl-2-({[(3S,6S,9S,12S,15R)-2,5,11,14-tetrahydroxy-6-[2-(4-hydroxyphenyl)ethyl]-12-(2-methanesulphonylethyl)-7-methyl-8-oxo-3-(3-oxobutyl)-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-C-hydroxycarbonimidoyl}amino)pentanoic acid
- N-{[(3S,6S,9S,12S,15R)-3-[(Acetyloxy)methyl]-6-[2-(4-hydroxyphenyl)ethyl]-12-[2-(methanesulfonyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadecan-15-yl]carbamoyl}-L-isoleucine