(2S)-3-[[2-oxidanyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-2-(phenylcarbamoylamino)propanoic acid

Systemtic Name: (2S)-3-[[2-oxidanyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]-2-(phenylcarbamoylamino)propanoic acid Openeye Name: (2S)-3-[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]-2-(phenylcarbamoylamino)propanoic acid CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-[[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]-2-(phenylcarbamoylamino)propanoic acid Traditional Name: (2S)-3-[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]-2-(phenylcarbamoylamino)propionic acid Formula: C23H28N6O6 MolecularWeight: 484.50502

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NCCOC2=CC(=C(C=C2)C(=O)NCC(C(=O)O)NC(=O)NC3=CC=CC=C3)O

Isomeric SMILES

C1CNC(=NC1)NCCOC2=CC(=C(C=C2)C(=O)NC[C@@H](C(=O)O)NC(=O)NC3=CC=CC=C3)O

InChI

InChI=1S/C23H28N6O6/c30-19-13-16(35-12-11-26-22-24-9-4-10-25-22)7-8-17(19)20(31)27-14-18(21(32)33)29-23(34)28-15-5-2-1-3-6-15/h1-3,5-8,13,18,30H,4,9-12,14H2,(H,27,31)(H,32,33)(H2,24,25,26)(H2,28,29,34)/t18-/m0/s1