2-azanyl-3-[1,2-bis(2-azanyl-3-methyl-butanoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1,2-bis(2-azanyl-3-methyl-butanoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1,2-bis(2-amino-3-methyl-butanoyl)-4-tert-butoxycarbonyl-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1,2-bis(2-amino-3-methyl-1-oxobutyl)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1,2-bis(2-amino-3-methylbutanoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1,2-bis(2-amino-3-methyl-butanoyl)-4-tert-butoxycarbonyl-indol-3-yl]propionic acid Formula: C26H38N4O6 MolecularWeight: 502.60312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=C(C2=C(C=CC=C2N1C(=O)C(C(C)C)N)C(=O)OC(C)(C)C)CC(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)C1=C(C2=C(C=CC=C2N1C(=O)C(C(C)C)N)C(=O)OC(C)(C)C)CC(C(=O)O)N)N

InChI

InChI=1S/C26H38N4O6/c1-12(2)19(28)22(31)21-15(11-16(27)24(33)34)18-14(25(35)36-26(5,6)7)9-8-10-17(18)30(21)23(32)20(29)13(3)4/h8-10,12-13,16,19-20H,11,27-29H2,1-7H3,(H,33,34)