3-[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]propanoic acid

Systemtic Name: 3-[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]propanoic acid Openeye Name: 3-[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]propanoic acid CAS Name: 3-[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]propanoic acid IUPAC Name: 3-[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]propanoic acid Traditional Name: 3-[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]propionic acid Formula: C67H90N12O19 MolecularWeight: 1367.5005

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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)CCC(=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)CCC(=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/C67H90N12O19/c1-29(2)45-63(90)78-25-17-19-39(78)61(88)74(13)27-41(80)76(15)52(31(5)6)66(93)95-35(11)47(59(86)70-45)72-57(84)37-22-21-33(9)54-49(37)69-51-44(50-56(34(10)55(51)97-54)98-65(92)38(68-50)23-24-43(82)83)58(85)73-48-36(12)96-67(94)53(32(7)8)77(16)42(81)28-75(14)62(89)40-20-18-26-79(40)64(91)46(30(3)4)71-60(48)87/h21-22,29-32,35-36,39-40,45-48,52-53,69H,17-20,23-28H2,1-16H3,(H,70,86)(H,71,87)(H,72,84)(H,73,85)(H,82,83)