(7S,10S,13S,19S,22S)-29-chloranyl-13,22-dimethyl-9,12,15,18,21,24-hexakis(oxidanylidene)-10,19-bis(phenylmethyl)-2,8,11,14,17,20,23,26,28,30,31-undecazabicyclo[25.3.1]hentriaconta-1(31),27,29-triene-7-carboxamide

Systemtic Name: (7S,10S,13S,19S,22S)-29-chloranyl-13,22-dimethyl-9,12,15,18,21,24-hexakis(oxidanylidene)-10,19-bis(phenylmethyl)-2,8,11,14,17,20,23,26,28,30,31-undecazabicyclo[25.3.1]hentriaconta-1(31),27,29-triene-7-carboxamide Openeye Name: (7S,10S,13S,19S,22S)-10,19-dibenzyl-29-chloro-13,22-dimethyl-9,12,15,18,21,24-hexaoxo-2,8,11,14,17,20,23,26,28,30,31-undecazabicyclo[25.3.1]hentriaconta-1(31),27,29-triene-7-carboxamide CAS Name: (7S,10S,13S,19S,22S)-29-chloro-13,22-dimethyl-9,12,15,18,21,24-hexaoxo-10,19-bis(phenylmethyl)-2,8,11,14,17,20,23,26,28,30,31-undecazabicyclo[25.3.1]hentriaconta-1(31),27,29-triene-7-carboxamide IUPAC Name: (7S,10S,13S,19S,22S)-10,19-dibenzyl-29-chloro-13,22-dimethyl-9,12,15,18,21,24-hexaoxo-2,8,11,14,17,20,23,26,28,30,31-undecazabicyclo[25.3.1]hentriaconta-1(31),27,29-triene-7-carboxamide Traditional Name: (7S,10S,13S,19S,22S)-10,19-dibenzyl-29-chloro-9,12,15,18,21,24-hexaketo-13,22-dimethyl-2,8,11,14,17,20,23,26,28,30,31-undecazabicyclo[25.3.1]hentriaconta-1(31),27,29-triene-7-carboxamide Formula: C37H47ClN12O7 MolecularWeight: 807.29828

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(CCCCNC2=NC(=NC(=N2)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC3=CC=CC=C3)C)Cl)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCNC2=NC(=NC(=N2)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC3=CC=CC=C3)C)Cl)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C37H47ClN12O7/c1-21-31(54)46-26(17-23-11-5-3-6-12-23)33(56)41-19-28(51)43-22(2)32(55)47-27(18-24-13-7-4-8-14-24)34(57)45-25(30(39)53)15-9-10-16-40-36-48-35(38)49-37(50-36)42-20-29(52)44-21/h3-8,11-14,21-22,25-27H,9-10,15-20H2,1-2H3,(H2,39,53)(H,41,56)(H,43,51)(H,44,52)(H,45,57)(H,46,54)(H,47,55)(H2,40,42,48,49,50)/t21-,22-,25-,26-,27-/m0/s1