N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-3-(4-carbamimidoylphenyl)-2-cyclohexyl-propanamide

Systemtic Name: N-[2-[(2-azanyl-2-azanylidene-1-piperidin-4-yl-ethyl)amino]-1-cyclohexyl-2-oxidanylidene-ethyl]-3-(4-carbamimidoylphenyl)-2-cyclohexyl-propanamide Openeye Name: N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-oxo-ethyl]-3-(4-carbamimidoylphenyl)-2-cyclohexyl-propanamide CAS Name: N-[2-[[2-amino-2-imino-1-(4-piperidinyl)ethyl]amino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)-2-cyclohexylpropanamide IUPAC Name: N-[2-[(2-amino-2-imino-1-piperidin-4-ylethyl)amino]-1-cyclohexyl-2-oxoethyl]-3-(4-carbamimidoylphenyl)-2-cyclohexylpropanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[[2-amino-2-imino-1-(4-piperidyl)ethyl]amino]-1-cyclohexyl-2-keto-ethyl]-2-cyclohexyl-propionamide Formula: C31H49N7O2 MolecularWeight: 551.76646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NC(C4CCNCC4)C(=N)N

Isomeric SMILES

C1CCC(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NC(C4CCNCC4)C(=N)N

InChI

InChI=1S/C31H49N7O2/c32-28(33)24-13-11-20(12-14-24)19-25(21-7-3-1-4-8-21)30(39)38-27(22-9-5-2-6-10-22)31(40)37-26(29(34)35)23-15-17-36-18-16-23/h11-14,21-23,25-27,36H,1-10,15-19H2,(H3,32,33)(H3,34,35)(H,37,40)(H,38,39)