2-[3-[(2S,5R)-1-[(2R)-2-azanyl-3-(4-methylphenyl)propanoyl]-5-methyl-4-(2-naphthalen-2-ylethyl)piperazin-2-yl]propyl]guanidine

Systemtic Name: 2-[3-[(2S,5R)-1-[(2R)-2-azanyl-3-(4-methylphenyl)propanoyl]-5-methyl-4-(2-naphthalen-2-ylethyl)piperazin-2-yl]propyl]guanidine Openeye Name: 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-(p-tolyl)propanoyl]-5-methyl-4-[2-(2-naphthyl)ethyl]piperazin-2-yl]propyl]guanidine CAS Name: 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-(4-methylphenyl)-1-oxopropyl]-5-methyl-4-[2-(2-naphthalenyl)ethyl]-2-piperazinyl]propyl]guanidine IUPAC Name: 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-(4-methylphenyl)propanoyl]-5-methyl-4-(2-naphthalen-2-ylethyl)piperazin-2-yl]propyl]guanidine Traditional Name: 2-[3-[(2S,5R)-1-[(2R)-2-amino-3-(p-tolyl)propanoyl]-5-methyl-4-[2-(2-naphthyl)ethyl]piperazin-2-yl]propyl]guanidine Formula: C31H42N6O MolecularWeight: 514.70478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1CCC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)C(=O)C(CC4=CC=C(C=C4)C)N

Isomeric SMILES

C[C@@H]1CN([C@H](CN1CCC2=CC3=CC=CC=C3C=C2)CCCN=C(N)N)C(=O)[C@@H](CC4=CC=C(C=C4)C)N

InChI

InChI=1S/C31H42N6O/c1-22-9-11-24(12-10-22)19-29(32)30(38)37-20-23(2)36(21-28(37)8-5-16-35-31(33)34)17-15-25-13-14-26-6-3-4-7-27(26)18-25/h3-4,6-7,9-14,18,23,28-29H,5,8,15-17,19-21,32H2,1-2H3,(H4,33,34,35)/t23-,28+,29-/m1/s1