(2R)-5-carbamimidamido-N-[(1R)-1-carbamoyl-2-phenylethyl]-2-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanamido]pentanamide; trifluoroacetic acid

Formula: C28H36F3N7O7

SMILES: OC(=O)C(F)(F)F.CC(=O)N[C@H](CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CC1=CC=CC=C1)C(N)=O

IUPAC: (2R)-5-carbamimidamido-N-[(1R)-1-carbamoyl-2-phenylethyl]-2-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanamido]pentanamide; trifluoroacetic acid

InChI: InChI=1S/C26H35N7O5.C2HF3O2/c1-16(34)31-22(15-18-9-11-19(35)12-10-18)25(38)32-20(8-5-13-30-26(28)29)24(37)33-21(23(27)36)14-17-6-3-2-4-7-17;3-2(4,5)1(6)7/h2-4,6-7,9-12,20-22,35H,5,8,13-15H2,1H3,(H2,27,36)(H,31,34)(H,32,38)(H,33,37)(H4,28,29,30);(H,6,7)/t2

Composition: C (52.58%), H (5.67%), F (8.91%), N (15.33%), O (17.51%)

Molar Mass: 639.633

Atom Count: 81

Heavy Atom Count: 45