2-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-[[(2S,3S)-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid CAS Name: 2-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid Traditional Name: 2-[[(2S,3S)-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]cyclohex-3-ene-1-carboxylic acid Formula: C24H41N3O6 MolecularWeight: 467.59884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1C=CCCC1C(=O)O)NC(=O)C(C(C)CC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1C=CCCC1C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H41N3O6/c1-8-14(3)18(20(28)25-17-13-11-10-12-16(17)22(30)31)26-21(29)19(15(4)9-2)27-23(32)33-24(5,6)7/h11,13-19H,8-10,12H2,1-7H3,(H,25,28)(H,26,29)(H,27,32)(H,30,31)/t14-,15-,16?,17?,18-,19-/m0/s1