(3S)-3-[[(2S)-2-[2-(2,5-dimethoxyphenyl)ethanoylamino]-3-methyl-butanoyl]amino]-5-(2-methylpropylsulfanyl)-4-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[2-(2,5-dimethoxyphenyl)ethanoylamino]-3-methyl-butanoyl]amino]-5-(2-methylpropylsulfanyl)-4-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-methyl-butanoyl]amino]-5-isobutylsulfanyl-4-oxo-pentanoic acid CAS Name: (3S)-3-[[(2S)-2-[[2-(2,5-dimethoxyphenyl)-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-5-(2-methylpropylthio)-4-oxopentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-5-(2-methylpropylsulfanyl)-4-oxopentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-methyl-butanoyl]amino]-5-(isobutylthio)-4-keto-valeric acid Formula: C24H36N2O7S MolecularWeight: 496.61684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)CC1=C(C=CC(=C1)OC)OC

Isomeric SMILES

CC(C)CSCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CC1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C24H36N2O7S/c1-14(2)12-34-13-19(27)18(11-22(29)30)25-24(31)23(15(3)4)26-21(28)10-16-9-17(32-5)7-8-20(16)33-6/h7-9,14-15,18,23H,10-13H2,1-6H3,(H,25,31)(H,26,28)(H,29,30)/t18-,23-/m0/s1