HIT ID: HIT214317642
Cas No: 92131-67-4
分子式: C36H56N12O14S
分子量: 912.97
常用名: SQ 28517
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-{[(7-carbamimidamido-4-{2-[2-(2-acetamidopropanamido)propanamido]propanamido}-3-hydroxyheptanoyl)oxy]methyl}-7-(5-carbamoyl-5-acetamidopentanamido)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC: 3-{[(7-carbamimidamido-4-{2-[2-(2-acetamidopropanamido)propanamido]propanamido}-3-hydroxyheptanoyl)oxy]methyl}-7-(5-carbamoyl-5-acetamidopentanamido)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SMILES: CC(NC(C)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(O)CC(=O)OCC1=C(N2C(SC1)C(NC=O)(NC(=O)CCCC(NC(C)=O)C(N)=O)C2=O)C(O)=O |t:34|
SMILES: CC(NC(C)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCNC(N)=N)C(O)CC(=O)OCC1=C(N2C(SC1)C(NC=O)(NC(=O)CCCC(NC(C)=O)C(N)=O)C2=O)C(O)=O |t:34|
InChI key: QXDDYNBONUQPTL-UHFFFAOYSA-N
