O4-[2-aminocarbonyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-3-yl] O1-carbamimidoyl 2-methyl-2-(2-piperidin-3-ylpropan-2-yl)butanedioate

Systemtic Name: O4-[2-aminocarbonyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-3-yl] O1-carbamimidoyl 2-methyl-2-(2-piperidin-3-ylpropan-2-yl)butanedioate Openeye Name: O1-carbamimidoyl O4-[2-carbamoyl-1-[3-(2-naphthylsulfonylamino)propanoyl]-3-piperidyl] 2-methyl-2-[1-methyl-1-(3-piperidyl)ethyl]butanedioate CAS Name: 2-methyl-2-[2-(3-piperidinyl)propan-2-yl]butanedioic acid O1-carbamimidoyl ester O4-[2-carbamoyl-1-[3-(2-naphthalenylsulfonylamino)-1-oxopropyl]-3-piperidinyl] ester IUPAC Name: 1-O-carbamimidoyl 4-O-[2-carbamoyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]piperidin-3-yl] 2-methyl-2-(2-piperidin-3-ylpropan-2-yl)butanedioate Traditional Name: 2-methyl-2-[1-methyl-1-(3-piperidyl)ethyl]succinic acid O1-amidino ester O4-[2-carbamoyl-1-[3-(2-naphthylsulfonylamino)propanoyl]-3-piperidyl] ester Formula: C33H46N6O8S MolecularWeight: 686.81874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCCNC1)C(C)(CC(=O)OC2CCCN(C2C(=O)N)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC(=N)N

Isomeric SMILES

CC(C)(C1CCCNC1)C(C)(CC(=O)OC2CCCN(C2C(=O)N)C(=O)CCNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OC(=N)N

InChI

InChI=1S/C33H46N6O8S/c1-32(2,23-10-6-15-37-20-23)33(3,30(43)47-31(35)36)19-27(41)46-25-11-7-17-39(28(25)29(34)42)26(40)14-16-38-48(44,45)24-13-12-21-8-4-5-9-22(21)18-24/h4-5,8-9,12-13,18,23,25,28,37-38H,6-7,10-11,14-17,19-20H2,1-3H3,(H2,34,42)(H3,35,36)