(2S)-2-[[6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoic acid

Systemtic Name: (2S)-2-[[6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]carbamoylamino]-2-phenylazanyl-ethanoic acid Openeye Name: (2S)-2-anilino-2-[(2-benzyl-6-oxo-1H-pyrimidin-5-yl)carbamoylamino]acetic acid CAS Name: (2S)-2-anilino-2-[[oxo-[[6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]amino]methyl]amino]acetic acid IUPAC Name: (2S)-2-anilino-2-[(2-benzyl-6-oxo-1H-pyrimidin-5-yl)carbamoylamino]acetic acid Traditional Name: (2S)-2-anilino-2-[(2-benzyl-6-keto-1H-pyrimidin-5-yl)carbamoylamino]acetic acid Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC=C(C(=O)N2)NC(=O)NC(C(=O)O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC=C(C(=O)N2)NC(=O)N[C@@H](C(=O)O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O4/c26-18-15(12-21-16(24-18)11-13-7-3-1-4-8-13)23-20(29)25-17(19(27)28)22-14-9-5-2-6-10-14/h1-10,12,17,22H,11H2,(H,27,28)(H,21,24,26)(H2,23,25,29)/t17-/m0/s1