HIT ID: HIT217584659
Cas No: T81607
分子式: C62H88N10O11
分子量: 1149.445
常用名: Omramotide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]acetamido}-3-phenylpropanamido]-3-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid
IUPAC: (2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]acetamido}-3-phenylpropanamido]-3-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
InChI key: NMGKJFBSTPCKAQ-IZODFUJNSA-N
