(4S)-5-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-4-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-4-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: (4S)-5-[[2-[[(1S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxo-4-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-[[2-[[(2S)-1-[[(2S)-1-(carboxymethylamino)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: (4S)-5-[[2-[[(1S)-1-[[(1S)-1-(carboxymethylcarbamoyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-5-keto-4-[[(2S)-prolyl]amino]valeric acid Formula: C26H44N6O9 MolecularWeight: 584.66236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C26H44N6O9/c1-14(2)10-18(24(39)29-13-22(36)37)32-26(41)19(11-15(3)4)30-20(33)12-28-23(38)17(7-8-21(34)35)31-25(40)16-6-5-9-27-16/h14-19,27H,5-13H2,1-4H3,(H,28,38)(H,29,39)(H,30,33)(H,31,40)(H,32,41)(H,34,35)(H,36,37)/t16-,17-,18-,19-/m0/s1