(2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[oxidanyl(propyl)phosphoryl]oxy-pentanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-[oxidanyl(propyl)phosphoryl]oxy-pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[hydroxy(propyl)phosphoryl]oxy-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-2-[hydroxy(propyl)phosphoryl]oxy-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[hydroxy(propyl)phosphoryl]oxy-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-2-[hydroxy(propyl)phosphoryl]oxy-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C20H29N2O6P MolecularWeight: 424.427821

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Descriptors Computed from Structure

Canonical SMILES:

CCCP(=O)(O)OC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCP(=O)(O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C20H29N2O6P/c1-4-9-29(26,27)28-18(10-13(2)3)19(23)22-17(20(24)25)11-14-12-21-16-8-6-5-7-15(14)16/h5-8,12-13,17-18,21H,4,9-11H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)/t17-,18-/m0/s1