5-[1-[[(2S)-2-acetamido-3-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide

Systemtic Name: 5-[1-[[(2S)-2-acetamido-3-[4-[[4-chloranylbutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide Openeye Name: 5-[1-[[(2S)-2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide CAS Name: 5-[1-[[(2S)-2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furanyl)methoxy]phosphoryl]oxyphenyl]-1-oxopropyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide IUPAC Name: 5-[1-[[(2S)-2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide Traditional Name: 5-[1-[[(2S)-2-acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitro-2-furyl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide Formula: C37H49ClN5O10P MolecularWeight: 790.239221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C37H49ClN5O10P/c1-25(29-13-17-34(32(22-29)36(39)45)50-23-28-9-5-4-6-10-28)40-37(46)33(41-26(2)44)21-27-11-14-30(15-12-27)53-54(49,42(3)20-8-7-19-38)51-24-31-16-18-35(52-31)43(47)48/h11-18,22,25,28,33H,4-10,19-21,23-24H2,1-3H3,(H2,39,45)(H,40,46)(H,41,44)/t25?,33-,54?/m0/s1