2-methylpropyl 2-[[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: 2-methylpropyl 2-[[1-[(3-azanyl-2-oxidanyl-propyl)amino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: isobutyl 2-[[2-[(3-amino-2-hydroxy-propyl)amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(3-amino-2-hydroxypropyl)amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-[(3-amino-2-hydroxy-propyl)amino]-2-keto-1-(2-naphthylmethyl)ethyl]carbamoyl]pyrrolidine-1-carboxylic acid isobutyl ester Formula: C26H36N4O5 MolecularWeight: 484.58784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O

Isomeric SMILES

CC(C)COC(=O)N1CCCC1C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC(CN)O

InChI

InChI=1S/C26H36N4O5/c1-17(2)16-35-26(34)30-11-5-8-23(30)25(33)29-22(24(32)28-15-21(31)14-27)13-18-9-10-19-6-3-4-7-20(19)12-18/h3-4,6-7,9-10,12,17,21-23,31H,5,8,11,13-16,27H2,1-2H3,(H,28,32)(H,29,33)