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

Systemtic Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-acetamido-1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-acetamido-3-(4-phosphonooxyphenyl)propanoyl]amino]-5-amino-5-keto-valeric acid Formula: C16H22N3O9P MolecularWeight: 431.334341

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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)N

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)N

InChI

InChI=1S/C16H22N3O9P/c1-9(20)18-13(16(24)19-12(15(17)23)6-7-14(21)22)8-10-2-4-11(5-3-10)28-29(25,26)27/h2-5,12-13H,6-8H2,1H3,(H2,17,23)(H,18,20)(H,19,24)(H,21,22)(H2,25,26,27)/t12-,13-/m0/s1