HIT ID: HIT213840583
Cas No: T21983L;2763583-84-0
分子式: C55H104N20O14
分子量: 1269.563
常用名: PKI 14-22 amide, myristoylated Acetate
常用名: PKI 14-22 amide, myristoylated Acetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-{2-[(2S,3R)-2-[(2S)-5-carbamimidamido-2-(2-tetradecanamidoacetamido)pentanamido]-3-hydroxybutanamido]acetamido}pentanamido]pentanamido]-N-[(1S)-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}ethyl]butanediamide; acetic acid
IUPAC: (2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-{2-[(2S,3R)-2-[(2S)-5-carbamimidamido-2-(2-tetradecanamidoacetamido)pentanamido]-3-hydroxybutanamido]acetamido}pentanamido]pentanamido]-N-[(1S)-1-{[(1S,2S)-1-carbamoyl-2-methylbutyl]carbamoyl}ethyl]butanediamide; acetic acid
SMILES: CC(O)=O.CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
SMILES: CC(O)=O.CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O
InChI key: ZHWMUFCCSBGTPM-UXBYPZMDSA-N
