N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(1R)-2-[[(1S)-1-[[(1S)-1-[[[(1S)-2-[[(1S)-1-(ethylcarbamoyl)-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]methyl]-3-methyl-butyl]carbamoyl]butyl]amino]-1-(methylsulfanylmethyl)-2-oxo-ethyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-(methylthio)-1-oxopropan-2-yl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methylsulfanyl-1-oxopropan-2-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(1R)-2-[[(1S)-1-[[(1S)-1-[[[(1S)-2-[[(1S)-1-(ethylcarbamoyl)-2-methyl-propyl]amino]-2-keto-1-methyl-ethyl]amino]methyl]-3-methyl-butyl]carbamoyl]butyl]amino]-2-keto-1-[(methylthio)methyl]ethyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C31H53N7O6S MolecularWeight: 651.86082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC(C)C)CNC(C)C(=O)NC(C(C)C)C(=O)NCC)NC(=O)C(CSC)NC(=O)C1=CC=[N+](C=C1)[O-]

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC(C)C)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC)NC(=O)[C@H](CSC)NC(=O)C1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C31H53N7O6S/c1-9-11-24(35-30(42)25(18-45-8)36-28(40)22-12-14-38(44)15-13-22)29(41)34-23(16-19(3)4)17-33-21(7)27(39)37-26(20(5)6)31(43)32-10-2/h12-15,19-21,23-26,33H,9-11,16-18H2,1-8H3,(H,32,43)(H,34,41)(H,35,42)(H,36,40)(H,37,39)/t21-,23-,24-,25-,26-/m0/s1