(2S)-2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C24H24N4O4/c1-2-3-12-28-23(30)18-10-5-4-9-17(18)21(27-28)22(29)26-20(24(31)32)13-15-14-25-19-11-7-6-8-16(15)19/h4-11,14,20,25H,2-3,12-13H2,1H3,(H,26,29)(H,31,32)/t20-/m0/s1