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

Systemtic Name: (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridin-2-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-5-phenoxy-pentanoic acid Openeye Name: (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-5-phenoxy-pentanoic acid 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 IUPAC Name: (3S)-3-[[(2S)-1-[(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-5-phenoxypentanoic acid 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 Formula: C29H33N5O7 MolecularWeight: 563.60162

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H33N5O7/c1-18(2)26(32-27(38)21-16-33-13-7-6-12-24(33)30-21)29(40)34-14-8-11-22(34)28(39)31-20(15-25(36)37)23(35)17-41-19-9-4-3-5-10-19/h3-7,9-10,12-13,16,18,20,22,26H,8,11,14-15,17H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)/t20-,22-,26-/m0/s1