(2S)-2-[[2-cyclohex-2-en-1-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-indol-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[2-cyclohex-2-en-1-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-indol-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(1-tert-butoxycarbonyl-2-cyclohex-2-en-1-yl-indoline-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[2-(1-cyclohex-2-enyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3H-indol-2-yl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-cyclohex-2-en-1-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3H-indole-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(1-tert-butoxycarbonyl-2-cyclohex-2-en-1-yl-indoline-2-carbonyl)amino]-4-methyl-valeric acid Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1(CC2=CC=CC=C2N1C(=O)OC(C)(C)C)C3CCCC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1(CC2=CC=CC=C2N1C(=O)OC(C)(C)C)C3CCCC=C3

InChI

InChI=1S/C26H36N2O5/c1-17(2)15-20(22(29)30)27-23(31)26(19-12-7-6-8-13-19)16-18-11-9-10-14-21(18)28(26)24(32)33-25(3,4)5/h7,9-12,14,17,19-20H,6,8,13,15-16H2,1-5H3,(H,27,31)(H,29,30)/t19?,20-,26?/m0/s1