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

Systemtic Name: N-[(2-azanylbutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-3-phenyl-propanamide Openeye Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-3-phenyl-propanamide CAS Name: N-[[(2-amino-1-oxobutyl)hydrazo]-oxomethyl]-N-[2-(1H-indol-3-yl)-1-oxopropyl]-2-methyl-3-phenylpropanamide IUPAC Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-3-phenylpropanamide Traditional Name: N-[(2-aminobutanoylamino)carbamoyl]-N-[2-(1H-indol-3-yl)propanoyl]-2-methyl-3-phenyl-propionamide Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NNC(=O)N(C(=O)C(C)CC1=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)CC1=CC=CC=C1)C(=O)C(C)C2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C26H31N5O4/c1-4-21(27)23(32)29-30-26(35)31(24(33)16(2)14-18-10-6-5-7-11-18)25(34)17(3)20-15-28-22-13-9-8-12-19(20)22/h5-13,15-17,21,28H,4,14,27H2,1-3H3,(H,29,32)(H,30,35)