Pantinin-1
HIT218850411
sdf文件结构编辑类似物检索
HIT ID: HIT218850411
Cas No:
分子式: C75H119N17O18
分子量: 1546.878
常用名: Pantinin-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-4-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]-4-methylpentanamido]acetamido}hexanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanoic acid
IUPAC: (4S)-4-[({[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-4-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]-4-methylpentanamido]acetamido}hexanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O
InChI key: CJOKMZSNCBNPAA-MHAYHLHISA-N
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