2-[10,12-dimethyl-2-oxidanylidene-5,7-bis[[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]ethanoic acid

Systemtic Name: 2-[10,12-dimethyl-2-oxidanylidene-5,7-bis[[7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]ethanoic acid Openeye Name: 2-[5,7-bis[(3,10-diisopropyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)carbamoyl]-10,12-dimethyl-2-oxo-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]acetic acid CAS Name: 2-[10,12-dimethyl-2-oxo-5,7-bis[oxo-[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]amino]methyl]-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]acetic acid IUPAC Name: 2-[10,12-dimethyl-2-oxo-5,7-bis[[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]acetic acid Traditional Name: 2-[5,7-bis[(3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)carbamoyl]-2-keto-10,12-dimethyl-6H-[1,4]oxazino[3,2-b]phenoxazin-3-yl]acetic acid Formula: C66H88N12O19 MolecularWeight: 1353.47392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC(=O)C(=N6)CC(=O)O)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C

Isomeric SMILES

CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC(=O)C(=N6)CC(=O)O)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)C(C)C)C

InChI

InChI=1S/C66H88N12O19/c1-28(2)44-62(89)77-23-17-19-38(77)60(87)73(13)26-40(79)75(15)51(30(5)6)65(92)94-34(11)46(58(85)69-44)71-56(83)36-22-21-32(9)53-48(36)68-50-43(49-55(33(10)54(50)96-53)97-64(91)37(67-49)25-42(81)82)57(84)72-47-35(12)95-66(93)52(31(7)8)76(16)41(80)27-74(14)61(88)39-20-18-24-78(39)63(90)45(29(3)4)70-59(47)86/h21-22,28-31,34-35,38-39,44-47,51-52,68H,17-20,23-27H2,1-16H3,(H,69,85)(H,70,86)(H,71,83)(H,72,84)(H,81,82)