Name: (2R)-1-[(2R)-2-{[(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-9-(1H-indol-3-ylmethyl)-3-(naphthalen-2-ylmethyl)-1,4,7,10,18,21-hexaoxo-octadecahydro-2H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosan-12-yl]formamido}-3-methylbutanoyl]pyrrolidine-2-carboxamide; acetic acid
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HIT ID:HIT219162750
Cas No:
常用名:(2R)-1-[(2R)-2-{[(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-9-(1H-indol-3-ylmethyl)-3-(naphthalen-2-ylmethyl)-1,4,7,10,18,21-hexaoxo-octadecahydro-2H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosan-12-yl]formamido}-3-methylbutanoyl]pyrrolidine-2-carboxamide; acetic acid
常用名:(2R)-1-[(2R)-2-{[(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-9-(1H-indol-3-ylmethyl)-3-(naphthalen-2-ylmethyl)-1,4,7,10,18,21-hexaoxo-octadecahydro-2H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosan-12-yl]formamido}-3-methylbutanoyl]pyrrolidine-2-carboxamide; acetic acid
IUPAC:(2R)-1-[(2R)-2-{[(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-9-[(1H-indol-3-yl)methyl]-3-[(naphthalen-2-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosan-12-yl]formamido}-3-methylbutanoyl]pyrrolidine-2-carboxamide; acetic acid
IUPAC:(2R)-1-[(2R)-2-{[(3R,6S,9S,12S,20S,25aS)-6-(3-carbamimidamidopropyl)-20-[(2S)-2-acetamidohexanamido]-9-[(1H-indol-3-yl)methyl]-3-[(naphthalen-2-yl)methyl]-1,4,7,10,18,21-hexaoxo-tetracosahydro-1H-pyrrolo[2,1-l]1,4,7,10,13,18-hexaazacyclotricosan-12-yl]formamido}-3-methylbutanoyl]pyrrolidine-2-carboxamide; acetic acid
InChI key:NEBLDQRDOICVCH-PNSCJSEPSA-N

分子式:C65H91N15O13
分子量:1290.535
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC2=O)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O
SMILES:CC(O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccc3ccccc3c1)NC2=O)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@@H]1C(N)=O)NC(=O)[C@H](CCCC)NC(C)=O

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