(2S)-3-phenyl-2-[[(2S)-2-(quinolin-6-ylcarbamoylamino)propanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[(2S)-2-(quinolin-6-ylcarbamoylamino)propanoyl]amino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[(2S)-2-(6-quinolylcarbamoylamino)propanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-1-oxo-2-[[oxo-(6-quinolinylamino)methyl]amino]propyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[(2S)-2-(quinolin-6-ylcarbamoylamino)propanoyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[(2S)-2-(6-quinolylcarbamoylamino)propanoyl]amino]propionic acid Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)NC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)NC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-14(20(27)26-19(21(28)29)12-15-6-3-2-4-7-15)24-22(30)25-17-9-10-18-16(13-17)8-5-11-23-18/h2-11,13-14,19H,12H2,1H3,(H,26,27)(H,28,29)(H2,24,25,30)/t14-,19-/m0/s1