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

Systemtic Name: N1-[4-[(3-methylbutanoylamino)-propyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Openeye Name: N1-[1-benzyl-2-hydroxy-3-[(3-methylbutanoylamino)-propyl-amino]propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide CAS Name: N1-[3-hydroxy-4-[[(3-methyl-1-oxobutyl)amino]-propylamino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3,5-tricarboxamide IUPAC Name: 1-N-[3-hydroxy-4-[(3-methylbutanoylamino)-propylamino]-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide Traditional Name: N1-[1-benzyl-2-hydroxy-3-[(isovalerylamino)-propyl-amino]propyl]-N3,N3-dipropyl-benzene-1,3,5-tricarboxamide Formula: C33H49N5O5 MolecularWeight: 595.77266

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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(CCC)NC(=O)CC(C)C)O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C33H49N5O5/c1-6-14-37(15-7-2)33(43)27-20-25(31(34)41)19-26(21-27)32(42)35-28(18-24-12-10-9-11-13-24)29(39)22-38(16-8-3)36-30(40)17-23(4)5/h9-13,19-21,23,28-29,39H,6-8,14-18,22H2,1-5H3,(H2,34,41)(H,35,42)(H,36,40)