Z-Leu-Pro-Arg-PNA|Z-Leu-Pro-Arg-paranitroanilide|benzyl N-[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate|be...

General Information

Structure

Molecular Formula

C₃₁H₄₂N₈O₇

Molecular Mass

638.71458

Exact Mass

638.31764572

Charge

InChI

InChI=1S/C31H42N8O7/c1-20(2)18-25(37-31(43)46-19-21-8-4-3-5-9-21)29(42)38-17-7-11-26(38)28(41)36-24(10-6-16-34-30(32)33)27(40)35-22-12-14-23(15-13-22)39(44)45/h3-5,8-9,12-15,20,24-26H,6-7,10-11,16-19H2,1-2H3,(H,35,40)(H,36,41)(H,37,43)(H4,32,33,34)/t24-,25-,26-/m0/s1

InChIKey

XTWZFHZMBQPQDG-GSDHBNRESA-N

Canonic Smiles

CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CCCNC(=N)N)NC(=O)OCc1ccccc1)C

Isomeric Smiles

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

Calculated Properties

JChem

Acid pKa

12.145276

H Acceptors

H Donor