For research use only. Not for therapeutic Use.
CAS Number | 2873460-70-7 |
Synonyms | 2-[[[2-[[(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]ethyl N-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl]methyl]carbamate |
Molecular Formula | C51H56FN9O14 |
Purity | ≥95% |
IUPAC Name | 2-[[[2-[[(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]ethyl N-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl]methyl]carbamate |
InChI | InChI=1S/C51H56FN9O14/c1-3-51(72)35-20-39-46-33(26-61(39)48(69)34(35)27-75-49(51)70)32(31-18-29(2)36(52)21-37(31)59-46)22-56-50(71)74-17-16-73-28-57-42(64)24-55-47(68)38(19-30-10-6-4-7-11-30)58-43(65)25-54-41(63)23-53-40(62)12-8-5-9-15-60-44(66)13-14-45(60)67/h4,6-7,10-11,13-14,18,20-21,38,72H,3,5,8-9,12,15-17,19,22-28H2,1-2H3,(H,53,62)(H,54,63)(H,55,68)(H,56,71)(H,57,64)(H,58,65)/t38-,51-/m0/s1 |
InChIKey | LMQIUJUWNKZJEB-HGWGJBHZSA-N |
SMILES | CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=C(C(=C5)C)F)N=C4C3=C2)CNC(=O)OCCOCNC(=O)CNC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CNC(=O)CNC(=O)CCCCCN7C(=O)C=CC7=O)O |