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

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-2-(3-methoxypropanoylamino)-N-[2-(pyrazin-2-ylcarbonylamino)ethyl]butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(3-methoxypropanoylamino)-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-2-[(3-methoxy-1-oxopropyl)amino]-N-[2-[[oxo(2-pyrazinyl)methyl]amino]ethyl]butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-2-(3-methoxypropanoylamino)-N-[2-(pyrazine-2-carbonylamino)ethyl]butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-2-(3-methoxypropanoylamino)-N-[2-(pyrazinoylamino)ethyl]succinamide Formula: C25H39N9O5 MolecularWeight: 545.63446

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC(CC(=O)NC(C1CCCNC1)C(=N)N)C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3

Isomeric SMILES

COCCC(=O)NC(CC(=O)NC(C1CCCNC1)C(=N)N)C(=O)N(CCNC(=O)C2=NC=CN=C2)C3CC3

InChI

InChI=1S/C25H39N9O5/c1-39-12-6-20(35)32-18(13-21(36)33-22(23(26)27)16-3-2-7-28-14-16)25(38)34(17-4-5-17)11-10-31-24(37)19-15-29-8-9-30-19/h8-9,15-18,22,28H,2-7,10-14H2,1H3,(H3,26,27)(H,31,37)(H,32,35)(H,33,36)