(2S)-2-[(4-chlorophenyl)carbamoylamino]-3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-[[2-oxidanyl-4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[(4-chloroanilino)-oxomethyl]amino]-3-[[[2-hydroxy-4-[2-(2-pyrimidinylamino)ethoxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-[[2-hydroxy-4-[2-(pyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid Traditional Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-[[2-hydroxy-4-[2-(2-pyrimidylamino)ethoxy]benzoyl]amino]propionic acid Formula: C23H23ClN6O6 MolecularWeight: 514.91832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NCCOC2=CC(=C(C=C2)C(=O)NCC(C(=O)O)NC(=O)NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1=CN=C(N=C1)NCCOC2=CC(=C(C=C2)C(=O)NC[C@@H](C(=O)O)NC(=O)NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H23ClN6O6/c24-14-2-4-15(5-3-14)29-23(35)30-18(21(33)34)13-28-20(32)17-7-6-16(12-19(17)31)36-11-10-27-22-25-8-1-9-26-22/h1-9,12,18,31H,10-11,13H2,(H,28,32)(H,33,34)(H,25,26,27)(H2,29,30,35)/t18-/m0/s1