(2S)-N-[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]-2-[(2S)-2-acetamido-3-methylbutanamido]pentanediamide; trifluoroacetic acid

Formula: C36H63F3N10O11

SMILES: OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O

IUPAC: (2S)-N-[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]-2-[(2S)-2-acetamido-3-methylbutanamido]pentanediamide; trifluoroacetic acid

InChI: InChI=1S/C34H62N10O9.C2HF3O2/c1-8-18(5)27(33(52)42-23(16-25(37)47)31(50)40-21(29(38)48)12-10-11-15-35)44-34(53)28(19(6)9-2)43-30(49)22(13-14-24(36)46)41-32(51)26(17(3)4)39-20(7)45;3-2(4,5)1(6)7/h17-19,21-23,26-28H,8-16,35H2,1-7H3,(H2,36,46)(H2,37,47)(H2,3

Composition: C (49.76%), H (7.31%), F (6.56%), N (16.12%), O (20.25%)

Molar Mass: 868.954

Atom Count: 123

Heavy Atom Count: 60