methyl (2S)-2-[[2-ethyl-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[2-ethyl-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-ethyl-2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-ethyl-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-ethyl-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-ethyl-2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CCC(CC)(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C22H33N3O5S/c1-5-22(6-2,25-19(27)17(23-15-26)12-13-31-4)21(29)24-18(20(28)30-3)14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3,(H,23,26)(H,24,29)(H,25,27)/t17-,18-/m0/s1