HIT ID: HIT217584858
Cas No: T82907
分子式: C59H98N20O14S
分子量: 1343.62
常用名: BDC2.5 Mimotope 1040-63
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid
SMILES: CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
SMILES: CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI key: IMJVAINTXSCZLY-ITZBPHRDSA-N
