HIT ID: HIT218833005

Cas No:

分子式: C42H44F4N6O10

分子量: 868.84

常用名: trifluoroacetic acid; {4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]phenyl}methyl N-[(10S,23S)-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]carbamate, Val-Ala-PABC-Exatecan trifluoroacetate

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: trifluoroacetic acid; {4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]phenyl}methyl N-[(10S,23S)-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]carbamate

SMILES: OC(=O)C(F)(F)F.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)OCc6ccc(NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)cc6)c(c3Cn1c2=O)c45

InChI key: BEGBTWTZTSSNHK-TYUAWROFSA-N