tris-NTA Biotin
HIT218850199
sdf文件结构编辑类似物检索
HIT ID: HIT218850199
Cas No:
分子式: C59H93N11O25S
分子量: 1388.51
常用名: tris-NTA Biotin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-5-{4-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)hexanoyl]-8,11-bis[(4S)-4-[bis(carboxymethyl)amino]-4-carboxybutanoyl]-1,4,8,11-tetraazacyclotetradecan-1-yl}-2-[bis(carboxymethyl)amino]-5-oxopentanoic acid
IUPAC: (2S)-5-{4-[6-(6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}hexanamido)hexanoyl]-8,11-bis[(4S)-4-[bis(carboxymethyl)amino]-4-carboxybutanoyl]-1,4,8,11-tetraazacyclotetradecan-1-yl}-2-[bis(carboxymethyl)amino]-5-oxopentanoic acid
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N3CCCN(CCN(CCCN(CC3)C(=O)CC[C@H](N(CC(O)=O)CC(O)=O)C(O)=O)C(=O)CC[C@H](N(CC(O)=O)CC(O)=O)C(O)=O)C(=O)CC[C@H](N(CC(O)=O)CC(O)=O)C(O)=O)[C@@]1([H])NC(=O)N2
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)N3CCCN(CCN(CCCN(CC3)C(=O)CC[C@H](N(CC(O)=O)CC(O)=O)C(O)=O)C(=O)CC[C@H](N(CC(O)=O)CC(O)=O)C(O)=O)C(=O)CC[C@H](N(CC(O)=O)CC(O)=O)C(O)=O)[C@@]1([H])NC(=O)N2
InChI key: ROTBJHGOGUERSI-LNQQGTGFSA-N
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