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

Systemtic Name: N1-[4-[ethyl-(3-methylbutanoylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[ethyl-(3-methylbutanoylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[ethyl-[(3-methyl-1-oxobutyl)amino]amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[ethyl-(3-methylbutanoylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[ethyl-(isovalerylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C33H46N4O4 MolecularWeight: 562.74274

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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)CC(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)CC(C)C)O)C#C

InChI

InChI=1S/C33H46N4O4/c1-7-16-36(17-8-2)33(41)28-20-25(9-3)19-27(22-28)32(40)34-29(21-26-14-12-11-13-15-26)30(38)23-37(10-4)35-31(39)18-24(5)6/h3,11-15,19-20,22,24,29-30,38H,7-8,10,16-18,21,23H2,1-2,4-6H3,(H,34,40)(H,35,39)