HIT ID: HIT212709484
Cas No:
分子式: C41H57N7O8
分子量: 775.948
常用名: Myelopeptide-2 (MP-2)
氢键受体数 (HBA): 9
氢键供体数 (HBD): 8
LogP: 0.5749194
IUPAC: (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-2-yl)propanoic acid
IUPAC: (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-methylbutanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-2-yl)propanoic acid
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(O)=O
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(O)=O
InChI key: ZQWXARYGPROKDX-LXOXETEGSA-N
