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

Systemtic Name: methyl 2-[[3-[(3-methoxyphenyl)carbamoylamino]-1-pyrazin-2-ylcarbonyl-pyrrolidin-2-yl]carbonylamino]-5-(pyrazin-2-ylcarbonylamino)pentanoate Openeye Name: methyl 2-[[3-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]-5-(pyrazine-2-carbonylamino)pentanoate CAS Name: 2-[[[3-[[(3-methoxyanilino)-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-[(3-methoxyphenyl)carbamoylamino]-1-(pyrazine-2-carbonyl)pyrrolidine-2-carbonyl]amino]-5-(pyrazine-2-carbonylamino)pentanoate Traditional Name: 2-[[3-[(3-methoxyphenyl)carbamoylamino]-1-pyrazinoyl-prolyl]amino]-5-(pyrazinoylamino)valeric acid methyl ester Formula: C29H33N9O7 MolecularWeight: 619.62842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)NC(CCCNC(=O)C3=NC=CN=C3)C(=O)OC)C(=O)C4=NC=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2CCN(C2C(=O)NC(CCCNC(=O)C3=NC=CN=C3)C(=O)OC)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C29H33N9O7/c1-44-19-6-3-5-18(15-19)35-29(43)37-20-8-14-38(27(41)23-17-31-11-13-33-23)24(20)26(40)36-21(28(42)45-2)7-4-9-34-25(39)22-16-30-10-12-32-22/h3,5-6,10-13,15-17,20-21,24H,4,7-9,14H2,1-2H3,(H,34,39)(H,36,40)(H2,35,37,43)