N-[(2-azanylbutanoylamino)carbamoyl]-N-[3-(1-benzothiophen-3-yl)-2-methyl-propanoyl]-2-methyl-4-phenyl-butanamide

Systemtic Name: N-[(2-azanylbutanoylamino)carbamoyl]-N-[3-(1-benzothiophen-3-yl)-2-methyl-propanoyl]-2-methyl-4-phenyl-butanamide Openeye Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[3-(benzothiophen-3-yl)-2-methyl-propanoyl]-2-methyl-4-phenyl-butanamide CAS Name: N-[[(2-amino-1-oxobutyl)hydrazo]-oxomethyl]-N-[3-(1-benzothiophen-3-yl)-2-methyl-1-oxopropyl]-2-methyl-4-phenylbutanamide IUPAC Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[3-(1-benzothiophen-3-yl)-2-methylpropanoyl]-2-methyl-4-phenylbutanamide Traditional Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[3-(benzothiophen-3-yl)-2-methyl-propanoyl]-2-methyl-4-phenyl-butyramide Formula: C28H34N4O4S MolecularWeight: 522.65896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC(=O)N(C(=O)C(C)CCC1=CC=CC=C1)C(=O)C(C)CC2=CSC3=CC=CC=C32)N

Isomeric SMILES

CCC(C(=O)NNC(=O)N(C(=O)C(C)CCC1=CC=CC=C1)C(=O)C(C)CC2=CSC3=CC=CC=C32)N

InChI

InChI=1S/C28H34N4O4S/c1-4-23(29)25(33)30-31-28(36)32(26(34)18(2)14-15-20-10-6-5-7-11-20)27(35)19(3)16-21-17-37-24-13-9-8-12-22(21)24/h5-13,17-19,23H,4,14-16,29H2,1-3H3,(H,30,33)(H,31,36)