Density: 1.42±0.1 g/cm3
InChIKey: AIWBXGLHDFKUCY-UHFFFAOYSA-N
CanonicalSMILES: C1=CC=C(C=C1)COC(=O)NC(=NCCOC2=CC=CC3=C2NC4=NC(=O)N(C=C4O3)CC(=O)N(CCNC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)CC(=O)O)NC(=O)OCC8=CC=CC=C8
IUPAC Name: 2-[[2-[9-[2-[bis(phenylmethoxycarbonylamino)methylideneamino]ethoxy]-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl]acetyl]-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid
InChI: InChI=1S/C50H46N8O12/c59-42(57(28-43(60)61)24-22-52-48(63)69-31-38-36-18-9-7-16-34(36)35-17-8-10-19-37(35)38)27-58-26-41-45(54-47(58)62)53-44-39(20-11-21-40(44)70-41)66-25-23-51-46(55-49(64)67-29-32-12-3-1-4-13-32)56-50(65)68-30-33-14-5-2-6-15-33/h1-21,26,38H,22-25,27-31H2,(H,52,63)(H,60,61)(H,53,54,62)(H2,51,55,56,64,65)
Synonyms: Guanidino-G-Clamp-PNA; N-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-N-(2-(9-(2-(2,3-bis((benzyloxy)carbonyl)guanidino)ethoxy)-2-oxo-2,10-dihydro-3H-benzo[b]pyrimido[4,5-e][1,4]oxazin-3-yl)acetyl)glycine; Glycine, N-[[9-[2-[[bis[[(phenylmethoxy)carbonyl]amino]methylene]amino]ethoxy]-1,2-dihydro-2-oxo-3H-pyrimido[5,4-b][1,4]benzoxazin-3-yl]acetyl]-N-[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]-