tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridin-2-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-5-phenoxy-pentanoate

Systemtic Name: tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridin-2-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-5-phenoxy-pentanoate Openeye Name: tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-5-phenoxy-pentanoate CAS Name: (3S)-3-[[[(2S)-1-[(2S)-2-[[2-imidazo[1,2-a]pyridinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxo-5-phenoxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-5-phenoxypentanoate Traditional Name: (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-butanoyl]prolyl]amino]-4-keto-5-phenoxy-valeric acid tert-butyl ester Formula: C33H41N5O7 MolecularWeight: 619.70794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)OC(C)(C)C)C(=O)COC2=CC=CC=C2)NC(=O)C3=CN4C=CC=CC4=N3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)COC2=CC=CC=C2)NC(=O)C3=CN4C=CC=CC4=N3

InChI

InChI=1S/C33H41N5O7/c1-21(2)29(36-30(41)24-19-37-16-10-9-15-27(37)34-24)32(43)38-17-11-14-25(38)31(42)35-23(18-28(40)45-33(3,4)5)26(39)20-44-22-12-7-6-8-13-22/h6-10,12-13,15-16,19,21,23,25,29H,11,14,17-18,20H2,1-5H3,(H,35,42)(H,36,41)/t23-,25-,29-/m0/s1