HIT ID: HIT212718924
Cas No: 146935-77-5
分子式: C33H49N9O8
分子量: 699.81
常用名: C111 Peptide
氢键受体数 (HBA): 11
氢键供体数 (HBD): 9
LogP: -4.314496
IUPAC: (2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
IUPAC: (2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
SMILES: CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES: CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(O)=O
InChI key: RTKCCHKIDOPIQT-MGAMHGSISA-N
