N1-[4-[ethyl-(2-methylpropanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[4-[ethyl-(2-methylpropanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[ethyl-(2-methylpropanoylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[ethyl-[(2-methyl-1-oxopropyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[ethyl-(2-methylpropanoylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[ethyl-(isobutyrylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C32H44N4O4 MolecularWeight: 548.71616

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(CC)NC(=O)C(C)C)O)C#C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(CC)NC(=O)C(C)C)O)C#C

InChI

InChI=1S/C32H44N4O4/c1-7-16-35(17-8-2)32(40)27-19-24(9-3)18-26(21-27)31(39)33-28(20-25-14-12-11-13-15-25)29(37)22-36(10-4)34-30(38)23(5)6/h3,11-15,18-19,21,23,28-29,37H,7-8,10,16-17,20,22H2,1-2,4-6H3,(H,33,39)(H,34,38)