(4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-oxidanylidene-5-phenylazanyl-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-anilino-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-5-anilino-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-anilino-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-anilino-5-keto-valeric acid Formula: C22H26N3O9P MolecularWeight: 507.430301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC(CCC(=O)O)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H26N3O9P/c1-14(26)23-19(13-15-7-9-17(10-8-15)34-35(31,32)33)22(30)25-18(11-12-20(27)28)21(29)24-16-5-3-2-4-6-16/h2-10,18-19H,11-13H2,1H3,(H,23,26)(H,24,29)(H,25,30)(H,27,28)(H2,31,32,33)/t18-,19-/m0/s1