bis[(4-nitrophenyl)methyl] 3-[bis(azanyl)methylideneamino]-2-ethyl-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1,3-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] 3-[bis(azanyl)methylideneamino]-2-ethyl-2-pyrrolidin-1-ylcarbonyl-4-sulfanyl-pyrrolidine-1,3-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] 2-ethyl-3-guanidino-2-(pyrrolidine-1-carbonyl)-4-sulfanyl-pyrrolidine-1,3-dicarboxylate CAS Name: 3-(diaminomethylideneamino)-2-ethyl-4-mercapto-2-[oxo(1-pyrrolidinyl)methyl]pyrrolidine-1,3-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] 3-(diaminomethylideneamino)-2-ethyl-2-(pyrrolidine-1-carbonyl)-4-sulfanylpyrrolidine-1,3-dicarboxylate Traditional Name: 2-ethyl-3-guanidino-4-mercapto-2-(pyrrolidine-1-carbonyl)pyrrolidine-1,3-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C28H33N7O9S MolecularWeight: 643.66812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=C(N)N)C(=O)N4CCCC4

Isomeric SMILES

CCC1(C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=C(N)N)C(=O)N4CCCC4

InChI

InChI=1S/C28H33N7O9S/c1-2-27(23(36)32-13-3-4-14-32)28(31-25(29)30,24(37)43-16-18-5-9-20(10-6-18)34(39)40)22(45)15-33(27)26(38)44-17-19-7-11-21(12-8-19)35(41)42/h5-12,22,45H,2-4,13-17H2,1H3,(H4,29,30,31)