(phenylmethyl) 2-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-4-(2-phenoxyethoxy)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[1-[[2-[[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-1,2-bis(oxidanylidene)hexan-3-yl]carbamoyl]-4-(2-phenoxyethoxy)pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[1-[2-[[2-[[2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-acetyl]butylcarbamoyl]-4-(2-phenoxyethoxy)pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]amino]-oxomethyl]-4-(2-phenoxyethoxy)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[[2-[[2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-phenoxyethoxy)pyrrolidine-1-carboxylate Traditional Name: 2-[1-[2-[[2-[[2-(dimethylamino)-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-2-keto-acetyl]butylcarbamoyl]-4-(2-phenoxyethoxy)pyrrolidine-1-carboxylic acid benzyl ester Formula: C39H47N5O9 MolecularWeight: 729.81858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C39H47N5O9/c1-4-14-31(35(46)37(48)40-24-33(45)42-34(38(49)43(2)3)28-17-10-6-11-18-28)41-36(47)32-23-30(52-22-21-51-29-19-12-7-13-20-29)25-44(32)39(50)53-26-27-15-8-5-9-16-27/h5-13,15-20,30-32,34H,4,14,21-26H2,1-3H3,(H,40,48)(H,41,47)(H,42,45)