HIT ID: HIT212718015
Cas No: 90274-65-0
分子式: C41H63N11O10
分子量: 870.022
常用名: Ige octapeptide (497-504)
氢键受体数 (HBA): 13
氢键供体数 (HBD): 13
LogP: -5.1665072
IUPAC: (2S)-6-amino-N-({[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}methyl)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]hexanamide
IUPAC: (2S)-6-amino-N-({[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-hydroxyethyl]carbamoyl}methyl)-2-[(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanamido]hexanamide
SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI key: WZJZWBWEYCELDY-KQPNNKGBSA-N
