[1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate

HCID 155802413

Basic information

Standard SMILES: C/C=C1/NC(=O)[C@@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(O)C(CC(CC(O)C(O)CC(C)C)OC(=O)C(Cc2ccc(O)cc2)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)C(CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O
InChIKey: XCGGFKXEWPNQFS-CYWMHIOQSA-N
Molecular formula: C73H107N13O21
Average molar mass: 1,502.7 g/mol
Monoisotopic mass: 1,501.77044747

Lyngbyaureidamides B has been reported in Lyngbya with data available.

Preferred name: [1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
IUPAC: [1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate

DTXSID401334818

0 records

No reaction records under the current filter.

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Standard SMILES: C/C=C1/NC(=O)[C@@H](CO)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(O)C(CC(CC(O)C(O)CC(C)C)OC(=O)C(Cc2ccc(O)cc2)N(C)C(C)=O)NC(=O)[C@@H]2CCCN2C(=O)C(CCc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O
InChIKey: XCGGFKXEWPNQFS-CYWMHIOQSA-N
Molecular formula: C73H107N13O21
Average molar mass: 1,502.7 g/mol
Monoisotopic mass: 1,501.77044747

Lyngbyaureidamides B has been reported in Lyngbya with data available.

Preferred name: [1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
IUPAC: [1-[(3R,12S,19S,28S,31E,34R,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate

DTXSID401334818

0 records

No reaction records under the current filter.

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