HIT ID: HIT218849840
Cas No:
分子式: C48H78N12O16
分子量: 1079.22
常用名: EGFRvIII peptide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-[({[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}pentyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-amino-4-methylpentanamido]butanoic acid
IUPAC: (4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-[({[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}pentyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-amino-4-methylpentanamido]butanoic acid
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(O)=O
InChI key: YSJSHSRQMVWQTD-KFNJBGEYSA-N
