(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-2-cyclohexyl-ethanoyl]amino]-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-2-cyclohexyl-ethanoyl]amino]-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-2-cyclohexyl-acetyl]amino]-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1-methyl-3-pyridin-1-iumyl)-1-oxopropyl]amino]-2-cyclohexyl-1-oxoethyl]amino]-3-(1-methyl-3-pyridin-1-iumyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-2-cyclohexylacetyl]amino]-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-2-cyclohexyl-acetyl]amino]-3-(1-methylpyridin-1-ium-3-yl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C39H58N8O6+2 MolecularWeight: 734.92782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N)NC(=O)C(CC2=C[N+](=CC=C2)C)NC(=O)C(C3CCCCC3)NC(=O)C(CC4=C[N+](=CC=C4)C)NC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@H](CC2=C[N+](=CC=C2)C)NC(=O)[C@H](C3CCCCC3)NC(=O)[C@H](CC4=C[N+](=CC=C4)C)NC(=O)C

InChI

InChI=1S/C39H56N8O6/c1-25(2)20-32(39(53)47-19-11-16-33(47)35(40)49)43-36(50)31(22-28-13-10-18-46(5)24-28)42-38(52)34(29-14-7-6-8-15-29)44-37(51)30(41-26(3)48)21-27-12-9-17-45(4)23-27/h9-10,12-13,17-18,23-25,29-34H,6-8,11,14-16,19-22H2,1-5H3,(H4-2,40,41,42,43,44,48,49,50,51,52)/p+2/t30-,31-,32-,33-,34-/m0/s1