HIT ID: HIT218851856
Cas No: 62982-31-4
分子式: C72H116N22O29
分子量: 1753.845
常用名: Allergen Gal d 4 (46-61), chicken
常用名: Allergen Gal d 4 (46-61), chicken
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-carboxypropanamido]acetamido}-3-hydroxypropanamido]-3-hydroxybutanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-carboxypropanamido]acetamido}-3-hydroxypropanamido]-3-hydroxybutanamido]-3-carboxypropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: HYXXBINWGPYLTQ-DMWLTYJSSA-N