methyl 2-[2-(2-{2-[2-(2-amino-4-methylpentanamido)-3-hydroxypropanamido]-3-(4-nitrophenyl)propanamido}hexanamido)propanamido]-4-methylpentanoate; trifluoroacetic acid

Formula: C36H56F3N7O12

SMILES: OC(=O)C(F)(F)F.CCCCC(NC(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)NC(=O)C(CO)NC(=O)C(N)CC(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)OC

IUPAC: methyl 2-[2-(2-{2-[2-(2-amino-4-methylpentanamido)-3-hydroxypropanamido]-3-(4-nitrophenyl)propanamido}hexanamido)propanamido]-4-methylpentanoate; trifluoroacetic acid

InChI: InChI=1/C34H55N7O10.C2HF3O2/c1-8-9-10-25(31(45)36-21(6)29(43)39-27(16-20(4)5)34(48)51-7)37-32(46)26(17-22-11-13-23(14-12-22)41(49)50)38-33(47)28(18-42)40-30(44)24(35)15-19(2)3;3-2(4,5)1(6)7/h11-14,19-21,24-28,42H,8-10,15-18,35H2,1-7H3,(H,36,45)(H,37,46)(H

Composition: C (51.73%), H (6.75%), F (6.82%), N (11.73%), O (22.97%)

Molar Mass: 835.876

Atom Count: 114

Heavy Atom Count: 58