HIT ID: HIT217584828
Cas No: T82693
分子式: C51H70N18O7
分子量: 1047.24
常用名: Combi-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-acetamidopentanamido]pentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-carbamoyl-2-phenylethyl]pentanamide
IUPAC: (2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-acetamidopentanamido]pentanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-carbamoyl-2-phenylethyl]pentanamide
SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI key: HTRFGCRMHHYFRJ-UJKKYYSESA-N
