tert-butyl (6S)-2,6-bis(azanyl)-7-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-7-oxidanylidene-heptanoate

Systemtic Name: tert-butyl (6S)-2,6-bis(azanyl)-7-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-7-oxidanylidene-heptanoate Openeye Name: tert-butyl (6S)-2,6-diamino-7-[[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]amino]-7-oxo-heptanoate CAS Name: (6S)-2,6-diamino-7-[[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-7-oxoheptanoic acid tert-butyl ester IUPAC Name: tert-butyl (6S)-2,6-diamino-7-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-7-oxoheptanoate Traditional Name: (6S)-2,6-diamino-7-[[(1S)-1-carbomethoxy-3-(methylthio)propyl]amino]-7-keto-enanthic acid tert-butyl ester Formula: C17H33N3O5S MolecularWeight: 391.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCC(C(=O)NC(CCSC)C(=O)OC)N)N

Isomeric SMILES

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

InChI

InChI=1S/C17H33N3O5S/c1-17(2,3)25-15(22)12(19)8-6-7-11(18)14(21)20-13(9-10-26-5)16(23)24-4/h11-13H,6-10,18-19H2,1-5H3,(H,20,21)/t11-,12?,13-/m0/s1