N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(2-imidazol-1-ylethanoylamino)-N-[2-(pyrazin-2-ylcarbonylamino)ethyl]butanediamide

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(2-imidazol-1-ylethanoylamino)-N-[2-(pyrazin-2-ylcarbonylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-[(2-imidazol-1-ylacetyl)amino]-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-2-[[2-(1-imidazolyl)-1-oxoethyl]amino]-N-[2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-[(2-imidazol-1-ylacetyl)amino]-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-[(2-imidazol-1-ylacetyl)amino]-N-[2-(pyrazinoylamino)ethyl]succinamide Formula: C26H37N11O4 MolecularWeight: 567.64328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3)NC(=O)CN4C=CN=C4

Isomeric SMILES

C1CC(CNC1)C(C(=N)N)NC(=O)CC(C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3)NC(=O)CN4C=CN=C4

InChI

InChI=1S/C26H37N11O4/c27-24(28)23(17-2-1-5-29-13-17)35-21(38)12-19(34-22(39)15-36-10-8-31-16-36)26(41)37(18-3-4-18)11-9-33-25(40)20-14-30-6-7-32-20/h6-8,10,14,16-19,23,29H,1-5,9,11-13,15H2,(H3,27,28)(H,33,40)(H,34,39)(H,35,38)