HIT ID: HIT218849843
Cas No:
分子式: C104H183N39O32
分子量: 2491.849
常用名: AtPep1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-5-carbamimidamido-1-[(2S)-2-[({[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]hexanamido]-3-methylbutanamido]hexanamido]propanamido]hexanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]acetamido}hexanamido]butanoic acid
IUPAC: (4S)-4-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(2S)-5-carbamimidamido-1-[(2S)-2-[({[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}pentyl]carbamoyl}-4-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]hexanamido]-3-methylbutanamido]hexanamido]propanamido]hexanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]acetamido}hexanamido]butanoic acid
SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(O)=O
SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(O)=O
InChI key: OMMXWJUXCIGXAL-NVTQDIJWSA-N