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

Systemtic Name: N-[(2-azanylbutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-4-phenyl-butanamide Openeye Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-4-phenyl-butanamide CAS Name: N-[[(2-amino-1-oxobutyl)hydrazo]-oxomethyl]-N-[2-(1H-indol-3-yl)-1-oxopropyl]-2-methyl-4-phenylbutanamide IUPAC Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-4-phenylbutanamide Traditional Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-4-phenyl-butyramide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC(=O)N(C(=O)C(C)CCC1=CC=CC=C1)C(=O)C(C)C2=CNC3=CC=CC=C32)N

Isomeric SMILES

CCC(C(=O)NNC(=O)N(C(=O)C(C)CCC1=CC=CC=C1)C(=O)C(C)C2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C27H33N5O4/c1-4-22(28)24(33)30-31-27(36)32(25(34)17(2)14-15-19-10-6-5-7-11-19)26(35)18(3)21-16-29-23-13-9-8-12-20(21)23/h5-13,16-18,22,29H,4,14-15,28H2,1-3H3,(H,30,33)(H,31,36)