N-[(3R,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethanoylamino]pyrrolidin-3-yl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(3R,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethanoylamino]pyrrolidin-3-yl]-2-[(4-methoxyphenyl)methylsulfanyl]ethanamide Openeye Name: N-[(3R,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]pyrrolidin-3-yl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide CAS Name: N-[(3R,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-[[2-[(4-methoxyphenyl)methylthio]-1-oxoethyl]amino]-3-pyrrolidinyl]-2-[(4-methoxyphenyl)methylthio]acetamide IUPAC Name: N-[(3R,4R)-1-[[4-(aminomethyl)phenyl]methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]pyrrolidin-3-yl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide Traditional Name: N-[(3R,4R)-1-[4-(aminomethyl)benzyl]-4-[[2-(p-anisylthio)acetyl]amino]pyrrolidin-3-yl]-2-(p-anisylthio)acetamide Formula: C32H40N4O4S2 MolecularWeight: 608.8144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(=O)NC2CN(CC2NC(=O)CSCC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)CN

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(=O)N[C@@H]2CN(C[C@H]2NC(=O)CSCC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)CN

InChI

InChI=1S/C32H40N4O4S2/c1-39-27-11-7-25(8-12-27)19-41-21-31(37)34-29-17-36(16-24-5-3-23(15-33)4-6-24)18-30(29)35-32(38)22-42-20-26-9-13-28(40-2)14-10-26/h3-14,29-30H,15-22,33H2,1-2H3,(H,34,37)(H,35,38)/t29-,30-/m1/s1