HIT ID: HIT217584632
Cas No: T81491
分子式: C101H155N25O30
分子量: 2199.496
常用名: Pheromonotropin (pseudaletia separata)
常用名: Pheromonotropin (pseudaletia separata)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-carboxy-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanamido]hexanamido]-3-methylbutanamido]-3-phenylpropanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-3-carboxy-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanamido]hexanamido]-3-methylbutanamido]-3-phenylpropanamido]-4-carboxybutanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-4-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)[C@@H](C)O)C(N)=O
SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(C)C)[C@@H](C)O)C(N)=O
InChI key: JEJYDQGJLNREFP-STCZQTAKSA-N