Name: 4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentaazatricyclo[19.4.0.0^{3,8}]pentacosa-1(21),3,5,7,22,24-hexaen-22-yl]benzoic acid
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HIT ID:HIT218964232
Cas No:2379336-76-0
常用名:4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentaazatricyclo[19.4.0.0^{3,8}]pentacosa-1(21),3,5,7,22,24-hexaen-22-yl]benzoic acid
常用名:4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentaazatricyclo[19.4.0.0^{3,8}]pentacosa-1(21),3,5,7,22,24-hexaen-22-yl]benzoic acid
IUPAC:4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-[(1H-indol-3-yl)methyl]-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentaazatricyclo[19.4.0.0^{3,8}]pentacosa-1(21),3,5,7,22,24-hexaen-22-yl]benzoic acid
IUPAC:4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-[(1H-indol-3-yl)methyl]-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentaazatricyclo[19.4.0.0^{3,8}]pentacosa-1(21),3,5,7,22,24-hexaen-22-yl]benzoic acid
InChI key:NJFUXFYUHIHHOJ-FSEITFBQSA-N

分子式:C43H50N8O5S
分子量:790.98
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)cccc2-c1ccc(cc1)C(O)=O
SMILES:CN1[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2c(Sc3ncccc3CN[C@@H](CCCN)C(=O)N[C@@H](CCCCN)C1=O)cccc2-c1ccc(cc1)C(O)=O

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