benzyl N-[(1S)-1-{[(1S)-1-({3-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-4-methylpentanamido]-2-oxopropyl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamate, (Z-LL)2 ketone
HIT218639221
sdf文件结构编辑类似物检索
HIT ID: HIT218639221
Cas No: 313664-40-3
分子式: C43H64N6O9
分子量: 809.018
常用名: benzyl N-[(1S)-1-{[(1S)-1-({3-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-4-methylpentanamido]-2-oxopropyl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamate, (Z-LL)2 ketone
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: benzyl N-[(1S)-1-{[(1S)-1-({3-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-4-methylpentanamido]-2-oxopropyl}carbamoyl)-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamate
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
InChI key: JTVCWQUNPMKMER-BQYLNSIHSA-N
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