HIT ID: HIT212684202
Cas No: 139602-08-7
分子式: C31H40N8O8
分子量: 652.709
常用名: Locustakinin
氢键受体数 (HBA): 9
氢键供体数 (HBD): 10
LogP: -3.3194184
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-N-(carbamoylmethyl)-3-(1H-indol-3-yl)propanamide
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-N-(carbamoylmethyl)-3-(1H-indol-3-yl)propanamide
SMILES: C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
SMILES: C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
InChI key: YQZDDGVNOHGBSM-QAMDWANKSA-N
