methyl 2-[[3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]-5-(pyrazin-2-ylcarbonylamino)pentanoate

Systemtic Name: methyl 2-[[3-(cyclohexylcarbamoylamino)-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]-5-(pyrazin-2-ylcarbonylamino)pentanoate Openeye Name: methyl 2-[[3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]-5-(pyrazine-2-carbonylamino)pentanoate CAS Name: 2-[[[3-[[(cyclohexylamino)-oxomethyl]amino]-1-[oxo(2-pyrazinyl)methyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[[oxo(2-pyrazinyl)methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 2-[[3-(cyclohexylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]-5-(pyrazine-2-carbonylamino)pentanoate Traditional Name: 2-[[3-(cyclohexylcarbamoylamino)-1-pyrazinoyl-prolyl]amino]-5-(pyrazinoylamino)valeric acid methyl ester Formula: C28H37N9O6 MolecularWeight: 595.65008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCNC(=O)C1=NC=CN=C1)NC(=O)C2C(CCN2C(=O)C3=NC=CN=C3)NC(=O)NC4CCCCC4

Isomeric SMILES

COC(=O)C(CCCNC(=O)C1=NC=CN=C1)NC(=O)C2C(CCN2C(=O)C3=NC=CN=C3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C28H37N9O6/c1-43-27(41)20(8-5-10-33-24(38)21-16-29-11-13-31-21)35-25(39)23-19(36-28(42)34-18-6-3-2-4-7-18)9-15-37(23)26(40)22-17-30-12-14-32-22/h11-14,16-20,23H,2-10,15H2,1H3,(H,33,38)(H,35,39)(H2,34,36,42)