4-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phosphonomethylamino)pentanoyl]amino]butanoic acid

Systemtic Name: 4-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phosphonomethylamino)pentanoyl]amino]butanoic acid Openeye Name: 4-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phosphonomethylamino)pentanoyl]amino]butanoic acid CAS Name: 4-(1H-indol-3-yl)-2-[[(2S)-4-methyl-1-oxo-2-(phosphonomethylamino)pentyl]amino]butanoic acid IUPAC Name: 4-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phosphonomethylamino)pentanoyl]amino]butanoic acid Traditional Name: 4-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phosphonomethylamino)pentanoyl]amino]butyric acid Formula: C19H28N3O6P MolecularWeight: 425.415881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC1=CNC2=CC=CC=C21)C(=O)O)NCP(=O)(O)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CCC1=CNC2=CC=CC=C21)C(=O)O)NCP(=O)(O)O

InChI

InChI=1S/C19H28N3O6P/c1-12(2)9-17(21-11-29(26,27)28)18(23)22-16(19(24)25)8-7-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16-17,20-21H,7-9,11H2,1-2H3,(H,22,23)(H,24,25)(H2,26,27,28)/t16?,17-/m0/s1