[4-[(2S)-2-acetamido-3-[[(2S)-4-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate

Systemtic Name: [4-[(2S)-2-acetamido-3-[[(2S)-4-methyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(2S)-2-acetamido-3-[[(1S)-3-methyl-1-(2-pyridylmethylcarbamoyl)butyl]amino]-3-oxo-propyl]phenyl] dihydrogen phosphate CAS Name: [4-[(2S)-2-acetamido-3-[[(2S)-4-methyl-1-oxo-1-(2-pyridinylmethylamino)pentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(2S)-2-acetamido-3-[[(2S)-4-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-3-oxopropyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(2S)-2-acetamido-3-keto-3-[[(1S)-3-methyl-1-(2-pyridylmethylcarbamoyl)butyl]amino]propyl]phenyl] dihydrogen phosphate Formula: C23H31N4O7P MolecularWeight: 506.488601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(O)O)NC(=O)C

InChI

InChI=1S/C23H31N4O7P/c1-15(2)12-20(22(29)25-14-18-6-4-5-11-24-18)27-23(30)21(26-16(3)28)13-17-7-9-19(10-8-17)34-35(31,32)33/h4-11,15,20-21H,12-14H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)(H2,31,32,33)/t20-,21-/m0/s1