HIT ID: HIT218851779
Cas No: 1415039-77-8
分子式: C101H153N25O29
分子量: 2181.481
常用名: Phoenixin-20
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-carboxyethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-methylpentanamido]-3-methylbutanamido]-4-carbamoylbutanamido]butanoic acid
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-carboxy-1-oxopropan-2-yl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-carbamoyl-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-carboxyethyl]carbamoyl}-4-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-methylpentanamido]-3-methylbutanamido]-4-carbamoylbutanamido]butanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI key: IQRYUACIXWOSOA-PUGGNXOESA-N