(2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoyl]amino]propanoyl]amino]pentanediamide; methyl sulfate

Systemtic Name: (2S)-N-[(2S)-1-[(2S)-2-aminocarbonylpyrrolidin-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoyl]amino]propanoyl]amino]pentanediamide; methyl sulfate Openeye Name: (2S)-N-[(1S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-butyl]-2-[[(2S)-2-[[(2S)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoyl]amino]propanoyl]amino]pentanediamide; methyl sulfate CAS Name: (2S)-N-[(2S)-1-[(2S)-2-carbamoyl-1-pyrrolidinyl]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]pentanediamide; methyl sulfate IUPAC Name: (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoyl]amino]propanoyl]amino]pentanediamide; methyl sulfate Traditional Name: (2S)-N-[(1S)-1-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-3-methyl-butyl]-2-[[(2S)-2-[[(2S)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoyl]amino]propanoyl]amino]glutaramide; methyl sulfate Formula: C30H48N8O11S MolecularWeight: 728.81412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C2=C[N+](=CC=C2)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)C2=C[N+](=CC=C2)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C29H44N8O7.CH4O4S/c1-16(2)14-21(29(44)37-13-7-9-22(37)24(31)39)35-28(43)20(10-11-23(30)38)34-26(41)18(4)32-25(40)17(3)33-27(42)19-8-6-12-36(5)15-19;1-5-6(2,3)4/h6,8,12,15-18,20-22H,7,9-11,13-14H2,1-5H3,(H7-,30,31,32,33,34,35,38,39,40,41,42,43);1H3,(H,2,3,4)/t17-,18-,20-,21-,22-;/m0./s1