N-[1-[4-(2-azanyl-3-methyl-pentanoyl)-6-oxidanylidene-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[1-[4-(2-azanyl-3-methyl-pentanoyl)-6-oxidanylidene-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[1-[4-(2-amino-3-methyl-pentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]-3-methyl-butyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[1-[4-(2-amino-3-methyl-1-oxopentyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[1-[4-(2-amino-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[1-[4-(2-amino-3-methyl-pentanoyl)-6-keto-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]-3-methyl-butyl]-4-(4-methylpiperazino)benzamide Formula: C30H46N6O4 MolecularWeight: 554.72404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C)N

Isomeric SMILES

CCC(C)C(C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)C)N

InChI

InChI=1S/C30H46N6O4/c1-6-20(4)26(31)30(40)36-18-25(37)27-24(36)11-12-35(27)29(39)23(17-19(2)3)32-28(38)21-7-9-22(10-8-21)34-15-13-33(5)14-16-34/h7-10,19-20,23-24,26-27H,6,11-18,31H2,1-5H3,(H,32,38)