[2-[1-azanyl-1-azanylidene-3-oxidanylidene-3-(piperidin-3-ylmethylamino)propan-2-yl]-4-cyclopropyl-3,6-bis(oxidanylidene)piperazin-1-yl] ethanoate

Systemtic Name: [2-[1-azanyl-1-azanylidene-3-oxidanylidene-3-(piperidin-3-ylmethylamino)propan-2-yl]-4-cyclopropyl-3,6-bis(oxidanylidene)piperazin-1-yl] ethanoate Openeye Name: [2-[1-carbamimidoyl-2-oxo-2-(3-piperidylmethylamino)ethyl]-4-cyclopropyl-3,6-dioxo-piperazin-1-yl] acetate CAS Name: acetic acid [2-[1-amino-1-imino-3-oxo-3-(3-piperidinylmethylamino)propan-2-yl]-4-cyclopropyl-3,6-dioxo-1-piperazinyl] ester IUPAC Name: [2-[1-amino-1-imino-3-oxo-3-(piperidin-3-ylmethylamino)propan-2-yl]-4-cyclopropyl-3,6-dioxopiperazin-1-yl] acetate Traditional Name: acetic acid [2-[1-amidino-2-keto-2-(3-piperidylmethylamino)ethyl]-4-cyclopropyl-3,6-diketo-piperazino] ester Formula: C18H28N6O5 MolecularWeight: 408.45212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C(C(=O)N(CC1=O)C2CC2)C(C(=N)N)C(=O)NCC3CCCNC3

Isomeric SMILES

CC(=O)ON1C(C(=O)N(CC1=O)C2CC2)C(C(=N)N)C(=O)NCC3CCCNC3

InChI

InChI=1S/C18H28N6O5/c1-10(25)29-24-13(26)9-23(12-4-5-12)18(28)15(24)14(16(19)20)17(27)22-8-11-3-2-6-21-7-11/h11-12,14-15,21H,2-9H2,1H3,(H3,19,20)(H,22,27)