(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; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

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; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone 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; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone 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; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]ethanone 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; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone 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; 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]ethanone Formula: C47H55Cl2N9O14 MolecularWeight: 1040.8975

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Descriptors Computed from Structure

Canonical SMILES:

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.CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

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.CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H28Cl2N4O4.C21H27N5O10/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28;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/h2-9,14,18,23H,10-13,15-17H2,1H3;3-7,12-17,19,28-31H,22H2,1-2H3,(H,24,35)(H,25,32)(H,33,34)/t23-,26-;7-,12-,13-,14-,15+,16-,17?,19+/m00/s1