3-(1H-indol-3-yl)-2-[[4-methyl-2-[(3-naphthalen-1-yl-1-phosphono-propyl)amino]pentanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(3-naphthalen-1-yl-1-phosphono-propyl)amino]pentanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[[3-(1-naphthyl)-1-phosphono-propyl]amino]pentanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[[3-(1-naphthalenyl)-1-phosphonopropyl]amino]-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(3-naphthalen-1-yl-1-phosphonopropyl)amino]pentanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[[3-(1-naphthyl)-1-phosphono-propyl]amino]pentanoyl]amino]propionic acid Formula: C30H36N3O6P MolecularWeight: 565.597101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(CCC3=CC=CC4=CC=CC=C43)P(=O)(O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(CCC3=CC=CC4=CC=CC=C43)P(=O)(O)O

InChI

InChI=1S/C30H36N3O6P/c1-19(2)16-26(29(34)33-27(30(35)36)17-22-18-31-25-13-6-5-12-24(22)25)32-28(40(37,38)39)15-14-21-10-7-9-20-8-3-4-11-23(20)21/h3-13,18-19,26-28,31-32H,14-17H2,1-2H3,(H,33,34)(H,35,36)(H2,37,38,39)