Name: disodium 2-[(2S,5S,8S,11R,14R,17S)-14-(carboxylatomethyl)-11-(1H-indol-3-ylmethyl)-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-17-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(thiophen-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetate
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HIT ID:HIT218833096
Cas No:
常用名:disodium 2-[(2S,5S,8S,11R,14R,17S)-14-(carboxylatomethyl)-11-(1H-indol-3-ylmethyl)-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-17-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(thiophen-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetate
常用名:disodium 2-[(2S,5S,8S,11R,14R,17S)-14-(carboxylatomethyl)-11-(1H-indol-3-ylmethyl)-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-17-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(thiophen-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetate
IUPAC:disodium 2-[(2S,5S,8S,11R,14R,17S)-14-(carboxylatomethyl)-11-[(1H-indol-3-yl)methyl]-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-17-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(thiophen-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetate
IUPAC:disodium 2-[(2S,5S,8S,11R,14R,17S)-14-(carboxylatomethyl)-11-[(1H-indol-3-yl)methyl]-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-17-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(thiophen-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]acetate
InChI key:UWHBIISPHYTOGL-PFSAEEMXSA-L

分子式:C45H51N9Na2O11S
分子量:971.99
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].[Na+].CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)c2ccccc2)NC(=O)[C@@H](CC([O-])=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1
SMILES:[Na+].[Na+].CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)c2ccccc2)NC(=O)[C@@H](CC([O-])=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1

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