HIT ID: HIT218887581
Cas No: 2639395-38-1
分子式: C49H62N4O18
分子量: 995.045
常用名: 2,5-dioxopyrrolidin-1-yl 1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}-4-oxobutanamido)-3,6,9,12-tetraoxapentadecan-15-oate
常用名: 2,5-dioxopyrrolidin-1-yl 1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}-4-oxobutanamido)-3,6,9,12-tetraoxapentadecan-15-oate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}-4-oxobutanamido)-3,6,9,12-tetraoxapentadecan-15-oate
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-(4-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-N-{15-[(2,5-dioxopyrrolidin-1-yl)oxy]-15-oxo-3,6,9,12-tetraoxapentadecan-1-yl}-4-oxobutanamido)-3,6,9,12-tetraoxapentadecan-15-oate
SMILES: O=C(CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)ON1C(=O)CCC1=O
SMILES: O=C(CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc12)ON1C(=O)CCC1=O
InChI key: LTXDZCUWVWVRMS-UHFFFAOYSA-N
