[His7] Corazonin
HIT217584893
sdf文件结构编辑类似物检索
HIT ID: HIT217584893
Cas No: T83492
分子式: C62H79N17O18
分子量: 1350.415
常用名: [His7] Corazonin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1,2-dicarbamoylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-phenylpropanamido]pentanediamide
IUPAC: (2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S,2R)-1-{[(1S)-1,2-dicarbamoylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}butanamido]-3-phenylpropanamido]pentanediamide
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(N)=O
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(N)=O
InChI key: HWFAYBNNXSVCII-ITDVOVOGSA-N
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