HIT ID: HIT217584670
Cas No: T81644
分子式: C102H167N33O20
分子量: 2175.669
常用名: NRC-16
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-N-[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]hexanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]acetamido}propanamido]hexanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanamido]acetamido}pentanediamide
IUPAC: (2S)-N-[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-methylbutyl]carbamoyl}ethyl]carbamoyl}ethyl]-2-{2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-(1H-indol-3-yl)propanamido]hexanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]hexanamido]acetamido}propanamido]hexanamido]-3-(1H-imidazol-5-yl)propanamido]-4-methylpentanamido]acetamido}pentanediamide
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(N)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(N)=O
InChI key: BZXQEECUFNVKSD-HQTHDTPHSA-N