3-[(4S)-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxidanylidene-1-phenylazanyl-imidazolidin-2-yl]propanoic acid

Systemtic Name: 3-[(4S)-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxidanylidene-1-phenylazanyl-imidazolidin-2-yl]propanoic acid Openeye Name: 3-[(4S)-1-anilino-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxo-imidazolidin-2-yl]propanoic acid CAS Name: 3-[(4S)-1-anilino-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxo-2-imidazolidinyl]propanoic acid IUPAC Name: 3-[(4S)-1-anilino-4-(1H-indol-3-ylmethyl)-2-methyl-5-oxoimidazolidin-2-yl]propanoic acid Traditional Name: 3-[(4S)-1-anilino-4-(1H-indol-3-ylmethyl)-5-keto-2-methyl-imidazolidin-2-yl]propionic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC(C(=O)N1NC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)CCC(=O)O

Isomeric SMILES

CC1(N[C@H](C(=O)N1NC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)CCC(=O)O

InChI

InChI=1S/C22H24N4O3/c1-22(12-11-20(27)28)24-19(13-15-14-23-18-10-6-5-9-17(15)18)21(29)26(22)25-16-7-3-2-4-8-16/h2-10,14,19,23-25H,11-13H2,1H3,(H,27,28)/t19-,22?/m0/s1