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

Systemtic Name: (2S)-2-[(2-chlorophenyl)carbonylamino]-3-[[2-oxidanyl-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-[[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propionic acid Formula: C23H26ClN5O6 MolecularWeight: 503.93544

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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)C3=CC=CC=C3Cl)O

Isomeric SMILES

C1CNC(=NC1)NCCOC2=CC(=C(C=C2)C(=O)NC[C@@H](C(=O)O)NC(=O)C3=CC=CC=C3Cl)O

InChI

InChI=1S/C23H26ClN5O6/c24-17-5-2-1-4-15(17)21(32)29-18(22(33)34)13-28-20(31)16-7-6-14(12-19(16)30)35-11-10-27-23-25-8-3-9-26-23/h1-2,4-7,12,18,30H,3,8-11,13H2,(H,28,31)(H,29,32)(H,33,34)(H2,25,26,27)/t18-/m0/s1