(2S)-2-[[(2S,3S,4S)-2-azanyl-3-methyl-4-oxidanyl-4-(5-oxidanylpyridin-2-yl)butanoyl]amino]-2-[(3R,4S,5R)-5-(5-ethanoyl-2-oxidanylidene-1H-imidazol-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid; 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Systemtic Name: (2S)-2-[[(2S,3S,4S)-2-azanyl-3-methyl-4-oxidanyl-4-(5-oxidanylpyridin-2-yl)butanoyl]amino]-2-[(3R,4S,5R)-5-(5-ethanoyl-2-oxidanylidene-1H-imidazol-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid; 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Openeye Name: (2S)-2-[(3R,4S,5R)-5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]acetic acid; 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one CAS Name: (2S)-2-[(3R,4S,5R)-5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxy-2-oxolanyl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl]amino]acetic acid; 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one IUPAC Name: (2S)-2-[(3R,4S,5R)-5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]acetic acid; 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one Traditional Name: (2S)-2-[(3R,4S,5R)-5-(4-acetyl-2-keto-4-imidazolin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridyl)-3-methyl-butanoyl]amino]acetic acid; 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one Formula: C56H65Cl2N13O14 MolecularWeight: 1215.1

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl.CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=C(NC3=O)C(=O)C)O)O)C(=O)O)N

Isomeric SMILES

CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl.C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H](C2[C@@H]([C@@H]([C@@H](O2)N3C=C(NC3=O)C(=O)C)O)O)C(=O)O)N

InChI

InChI=1S/C35H38Cl2N8O4.C21H27N5O10/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37;1-7(14(29)10-4-3-9(28)5-23-10)12(22)18(32)25-13(20(33)34)17-15(30)16(31)19(36-17)26-6-11(8(2)27)24-21(26)35/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3;3-7,12-17,19,28-31H,22H2,1-2H3,(H,24,35)(H,25,32)(H,33,34)/t25?,31-,35-;7-,12-,13-,14-,15+,16-,17?,19+/m00/s1