(7R,10R)-19-chloranyl-9,12-bis(oxidanylidene)-10-(phenylmethyl)-2,8,11,16,18,20,21-heptazabicyclo[15.3.1]henicosa-1(21),17,19-triene-7-carboxamide

Systemtic Name: (7R,10R)-19-chloranyl-9,12-bis(oxidanylidene)-10-(phenylmethyl)-2,8,11,16,18,20,21-heptazabicyclo[15.3.1]henicosa-1(21),17,19-triene-7-carboxamide Openeye Name: (7R,10R)-10-benzyl-19-chloro-9,12-dioxo-2,8,11,16,18,20,21-heptazabicyclo[15.3.1]henicosa-1(21),17,19-triene-7-carboxamide CAS Name: (7R,10R)-19-chloro-9,12-dioxo-10-(phenylmethyl)-2,8,11,16,18,20,21-heptazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-7-carboxamide IUPAC Name: (7R,10R)-10-benzyl-19-chloro-9,12-dioxo-2,8,11,16,18,20,21-heptazabicyclo[15.3.1]henicosa-1(21),17,19-triene-7-carboxamide Traditional Name: (7R,10R)-10-benzyl-19-chloro-9,12-diketo-2,8,11,16,18,20,21-heptazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-7-carboxamide Formula: C22H29ClN8O3 MolecularWeight: 488.97046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC2=NC(=NC(=N2)NCCCC(=O)NC(C(=O)NC(C1)C(=O)N)CC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCNC2=NC(=NC(=N2)NCCCC(=O)N[C@@H](C(=O)N[C@H](C1)C(=O)N)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H29ClN8O3/c23-20-29-21-25-11-5-4-9-15(18(24)33)28-19(34)16(13-14-7-2-1-3-8-14)27-17(32)10-6-12-26-22(30-20)31-21/h1-3,7-8,15-16H,4-6,9-13H2,(H2,24,33)(H,27,32)(H,28,34)(H2,25,26,29,30,31)/t15-,16-/m1/s1