HIT ID: HIT217584814
Cas No: T82566
分子式: C106H180N28O34
分子量: 2390.768
常用名: DiaPep277
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[2-(2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-methylpentanamido]acetamido}acetamido)acetamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]butanedioic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[2-(2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-4-methylpentanamido]acetamido}acetamido)acetamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-3-methylbutanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-4-methylpentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]butanedioic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
InChI key: VGGRNGOEDNBLPH-YJHCMWSWSA-N