Polistes mastoparan
HIT218851581
sdf文件结构编辑类似物检索
HIT ID: HIT218851581
Cas No: 74129-19-4
分子式: C77H127N21O18
分子量: 1634.992
常用名: Polistes mastoparan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-3-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2S)-1-[({[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-[(2S)-2-amino-3-methylbutanamido]propanoic acid
IUPAC: (3S)-3-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S,2S)-1-[({[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}propyl]carbamoyl}methyl)carbamoyl]-2-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-[(2S)-2-amino-3-methylbutanamido]propanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O
InChI key: XKUYSBUJKLFGFG-XVGFDQGISA-N
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