tert-butyl (2S)-2-[[(2S)-1-[[2-ethanoylsulfanyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-1-[[2-ethanoylsulfanyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1S)-1-[[2-acetylsulfanyl-3-[[(1S)-3-methyl-1-(methylcarbamoyl)butyl]amino]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-1-[[2-(acetylthio)-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-1-[[2-acetylsulfanyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-1-[[2-(acetylthio)-3-keto-3-[[(1S)-3-methyl-1-(methylcarbamoyl)butyl]amino]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H49N5O7S MolecularWeight: 599.78296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(C(=O)NC(CC(C)C)C(=O)NC)SC(=O)C)NC(=O)C1CCCN1C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(C(=O)N[C@@H](CC(C)C)C(=O)NC)SC(=O)C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C28H49N5O7S/c1-16(2)13-19(23(35)29-9)32-26(38)22(41-18(5)34)15-30-24(36)20(14-17(3)4)31-25(37)21-11-10-12-33(21)27(39)40-28(6,7)8/h16-17,19-22H,10-15H2,1-9H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t19-,20-,21-,22?/m0/s1