HIT ID: HIT218832684

Cas No:

分子式: C69H90FN11O19

分子量: 1396.535

常用名: {4-[5-(carbamoylamino)-2-(2-{1-[2-(cyclooct-2-yn-1-yloxy)acetamido]-3,6,9,12-tetraoxapentadecan-15-amido}-3-methylbutanamido)pentanamido]phenyl}methyl N-[({[({10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl}carbamoyl)methoxy]methyl}carbamoyl)methyl]carbamate, Cyclooctyne-O-amido-PEG4-VC-PAB-Gly-Gly-NH-O-CO-Exatecan

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: {4-[5-(carbamoylamino)-2-(2-{1-[2-(cyclooct-2-yn-1-yloxy)acetamido]-3,6,9,12-tetraoxapentadecan-15-amido}-3-methylbutanamido)pentanamido]phenyl}methyl N-[({[({10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl}carbamoyl)methoxy]methyl}carbamoyl)methyl]carbamate

SMILES: CCC1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CCC(NC(=O)COCNC(=O)CNC(=O)OCc6ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCOCCOCCOCCOCCNC(=O)COC7CCCCCC#C7)C(C)C)cc6)c(c3Cn1c2=O)c45

InChI key: QODUAYOFZUVKPU-UHFFFAOYSA-N