HIT ID: HIT218887114
Cas No: 610268-80-9
分子式: C55H81N13O14
分子量: 1148.33
常用名: IALYLQQNW
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanoic acid
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
InChI key: AJGRAIOAMJTVQZ-CVJSAKJISA-N
