O3a-ethyl O3,O4-dimethyl 6a-azanyl-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate

Systemtic Name: O3a-ethyl O3,O4-dimethyl 6a-azanyl-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate Openeye Name: O3a-ethyl O3,O4-dimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate CAS Name: 6a-amino-1,6-bis[[anilino(oxo)methyl]amino]-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylic acid O3a-ethyl ester O3,O4-dimethyl ester IUPAC Name: 3a-O-ethyl 3-O,4-O-dimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate Traditional Name: 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylic acid O3a-ethyl ester O3,O4-dimethyl ester Formula: C29H33N7O8 MolecularWeight: 607.61442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C(=C(N(C1(N(C(=C2C(=O)OC)C)NC(=O)NC3=CC=CC=C3)N)NC(=O)NC4=CC=CC=C4)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C12C(=C(N(C1(N(C(=C2C(=O)OC)C)NC(=O)NC3=CC=CC=C3)N)NC(=O)NC4=CC=CC=C4)C)C(=O)OC

InChI

InChI=1S/C29H33N7O8/c1-6-44-25(39)28-21(23(37)42-4)17(2)35(33-26(40)31-19-13-9-7-10-14-19)29(28,30)36(18(3)22(28)24(38)43-5)34-27(41)32-20-15-11-8-12-16-20/h7-16H,6,30H2,1-5H3,(H2,31,33,40)(H2,32,34,41)