N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[3,5-bis(fluoranyl)phenyl]-5-[[(2S)-1-(ethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[3,5-bis(fluoranyl)phenyl]-5-[[(2S)-1-(ethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-5-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-4-[[(1S)-1-(ethylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-oxo-butyl]carbamoyl]butyl]carbamoyl]-2-methyl-butyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-(3,5-difluorophenyl)-5-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-(3,5-difluorophenyl)-5-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-[[(1S)-1-[[(1S,2S)-1-(3,5-difluorobenzyl)-4-[[(1S)-1-(ethylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-keto-butyl]carbamoyl]butyl]carbamoyl]-2-methyl-butyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C35H50F2N6O7 MolecularWeight: 704.804306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1=CC(=CC(=C1)F)F)C(CC(=O)NC(C(C)C)C(=O)NCC)O)NC(=O)C(C(C)CC)NC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@H](CC(=O)N[C@@H](C(C)C)C(=O)NCC)O)NC(=O)[C@H](C(C)CC)NC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C35H50F2N6O7/c1-7-10-26(39-35(49)31(21(6)8-2)42-32(46)23-11-13-43(50)14-12-23)33(47)40-27(17-22-15-24(36)18-25(37)16-22)28(44)19-29(45)41-30(20(4)5)34(48)38-9-3/h11-16,18,20-21,26-28,30-31,44H,7-10,17,19H2,1-6H3,(H,38,48)(H,39,49)(H,40,47)(H,41,45)(H,42,46)/t21?,26-,27-,28-,30-,31-/m0/s1