(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-prolyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]glutaric acid Formula: C28H45N7O8 MolecularWeight: 607.699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2CCCN2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]2CCCN2

InChI

InChI=1S/C28H45N7O8/c1-15(2)10-20(33-24(38)18-6-5-9-30-18)25(39)34-21(11-16(3)4)26(40)35-22(12-17-13-29-14-31-17)27(41)32-19(28(42)43)7-8-23(36)37/h13-16,18-22,30H,5-12H2,1-4H3,(H,29,31)(H,32,41)(H,33,38)(H,34,39)(H,35,40)(H,36,37)(H,42,43)/t18-,19-,20-,21-,22-/m0/s1