2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-tert-butoxycarbonyl-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-tert-butoxycarbonyl-indol-3-yl]propionic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C2=CC=CC=C2C(=C1C(=O)OC(C)(C)C)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)N1C2=CC=CC=C2C(=C1C(=O)OC(C)(C)C)CC(C(=O)O)N)N

InChI

InChI=1S/C21H29N3O5/c1-11(2)16(23)18(25)24-15-9-7-6-8-12(15)13(10-14(22)19(26)27)17(24)20(28)29-21(3,4)5/h6-9,11,14,16H,10,22-23H2,1-5H3,(H,26,27)