[2-[[8-azanyl-4,6-dimethyl-7-oxidanylidene-1,9-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]phenoxazin-3-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-butanoate

Systemtic Name: [2-[[8-azanyl-4,6-dimethyl-7-oxidanylidene-1,9-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]phenoxazin-3-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-butanoate Openeye Name: [2-[[8-amino-1,9-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]-4,6-dimethyl-7-oxo-phenoxazin-3-yl]amino]-2-oxo-ethyl] 2-amino-3-methyl-butanoate CAS Name: 2-amino-3-methylbutanoic acid [2-[[8-amino-4,6-dimethyl-7-oxo-1,9-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]-3-phenoxazinyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[8-amino-4,6-dimethyl-7-oxo-1,9-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]phenoxazin-3-yl]amino]-2-oxoethyl] 2-amino-3-methylbutanoate Traditional Name: 2-amino-3-methyl-butyric acid [2-[[8-amino-1,9-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]-7-keto-4,6-dimethyl-phenoxazin-3-yl]amino]-2-keto-ethyl] ester Formula: C69H98N14O19 MolecularWeight: 1427.59882

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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=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)NC(=O)COC(=O)C(C(C)C)N

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=CC(=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)NC(=O)COC(=O)C(C(C)C)N

InChI

InChI=1S/C69H98N14O19/c1-29(2)46(70)67(96)99-28-42(84)72-39-25-38(59(88)76-50-36(13)100-68(97)54(32(7)8)80(17)43(85)26-78(15)63(92)40-21-19-23-82(40)65(94)48(30(3)4)74-61(50)90)52-57(34(39)11)102-58-35(12)56(87)47(71)45(53(58)73-52)60(89)77-51-37(14)101-69(98)55(33(9)10)81(18)44(86)27-79(16)64(93)41-22-20-24-83(41)66(95)49(31(5)6)75-62(51)91/h25,29-33,36-37,40-41,46,48-51,54-55H,19-24,26-28,70-71H2,1-18H3,(H,72,84)(H,74,90)(H,75,91)(H,76,88)(H,77,89)