benzyl N-[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-[(4-methoxynaphthalen-2-yl)carbamoyl]pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamate|Z-Ala-Lys-Lys-4-Methoxy-2-Naphthylamine|benzyl N-[(1S)-1-{[(...

General Information

Structure

Molecular Formula

C₃₄H₄₆N₆O₆

Molecular Mass

634.76564

Exact Mass

634.34788322

Charge

InChI

InChI=1S/C34H46N6O6/c1-23(37-34(44)46-22-24-12-4-3-5-13-24)31(41)39-29(17-9-11-19-36)33(43)40-28(16-8-10-18-35)32(42)38-26-20-25-14-6-7-15-27(25)30(21-26)45-2/h3-7,12-15,20-21,23,28-29H,8-11,16-19,22,35-36H2,1-2H3,(H,37,44)(H,38,42)(H,39,41)(H,40,43)/t23-,28-,29-/m0/s1

InChIKey

YBFTWZDGUXMAJR-OIFPXGRLSA-N

Canonic Smiles

NCCCC[C@@H](C(=O)N[C@H](C(=O)Nc1cc(OC)c2c(c1)cccc2)CCCCN)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C

Isomeric Smiles

COc1cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc2c1cccc2

Calculated Properties

JChem

Acid pKa

12.082927

H Acceptors

H Donor