N-[(E,2S,3S,5R)-9-azido-1-cyclohexyl-5-(methylcarbamoyl)-3-oxidanyl-non-7-en-2-yl]-5-chloranyl-1H-indole-2-carboxamide

Systemtic Name: N-[(E,2S,3S,5R)-9-azido-1-cyclohexyl-5-(methylcarbamoyl)-3-oxidanyl-non-7-en-2-yl]-5-chloranyl-1H-indole-2-carboxamide Openeye Name: N-[(E,1S,2S,4R)-8-azido-1-(cyclohexylmethyl)-2-hydroxy-4-(methylcarbamoyl)oct-6-enyl]-5-chloro-1H-indole-2-carboxamide CAS Name: N-[(E,2S,3S,5R)-9-azido-1-cyclohexyl-3-hydroxy-5-(methylcarbamoyl)non-7-en-2-yl]-5-chloro-1H-indole-2-carboxamide IUPAC Name: N-[(E,2S,3S,5R)-9-azido-1-cyclohexyl-3-hydroxy-5-(methylcarbamoyl)non-7-en-2-yl]-5-chloro-1H-indole-2-carboxamide Traditional Name: N-[(E,1S,2S,4R)-8-azido-1-(cyclohexylmethyl)-2-hydroxy-4-(methylcarbamoyl)oct-6-enyl]-5-chloro-1H-indole-2-carboxamide Formula: C26H35ClN6O3 MolecularWeight: 515.0475

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC=CCN=[N+]=[N-])CC(C(CC1CCCCC1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O

Isomeric SMILES

CNC(=O)[C@H](C/C=C/CN=[N+]=[N-])C[C@@H]([C@H](CC1CCCCC1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O

InChI

InChI=1S/C26H35ClN6O3/c1-29-25(35)18(9-5-6-12-30-33-28)16-24(34)22(13-17-7-3-2-4-8-17)32-26(36)23-15-19-14-20(27)10-11-21(19)31-23/h5-6,10-11,14-15,17-18,22,24,31,34H,2-4,7-9,12-13,16H2,1H3,(H,29,35)(H,32,36)/b6-5+/t18-,22+,24+/m1/s1