4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butanoic acid

Systemtic Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butanoic acid Openeye Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butanoic acid CAS Name: 4-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid Traditional Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]butyric acid Formula: C27H35N3O5 MolecularWeight: 481.5839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCCCC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCCCC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C27H35N3O5/c1-27(25(33)28-8-4-7-23(31)32,14-20-15-29-22-6-3-2-5-21(20)22)30-26(34)35-24-18-10-16-9-17(12-18)13-19(24)11-16/h2-3,5-6,15-19,24,29H,4,7-14H2,1H3,(H,28,33)(H,30,34)(H,31,32)