HIT ID: HIT217584783
Cas No: T82424
分子式: C46H64N14O14
分子量: 1037.102
常用名: Experimental allergic encephalitogenic peptide (human)
常用名: Experimental allergic encephalitogenic peptide (human)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}propanamido]-4-carboxybutanamido]acetamido}-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]-3-(1H-indol-3-yl)propanamido]acetamido}propanamido]-4-carboxybutanamido]acetamido}-4-carbamoylbutanamido]-5-carbamimidamidopentanoic acid
SMILES: C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: C[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: PMYPSYZBJKQBOS-RNQSNQQQSA-N
