HIT ID: HIT212709501
Cas No:
分子式: C49H84N20O15S
分子量: 1225.4
常用名: ANP (1-11), rat
氢键受体数 (HBA): 25
氢键供体数 (HBD): 25
LogP: -13.140383
IUPAC: (2S)-2-(2-{2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]acetamido}acetamido)-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-(2-{2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]acetamido}acetamido)-5-carbamimidamidopentanoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: SVBYIGOTTULANM-AGQURRGHSA-N
