methyl 1-[2-[[2-[[8-azanyl-9-[[1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4,6-dimethyl-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-[[2-[[8-azanyl-9-[[1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4,6-dimethyl-7-oxidanylidene-phenoxazin-1-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-[[2-[[8-amino-9-[[2-hydroxy-1-[[1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methyl-propyl]carbamoyl]propyl]carbamoyl]-4,6-dimethyl-7-oxo-phenoxazine-1-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[[2-[[[8-amino-9-[[[3-hydroxy-1-[[1-(2-methoxycarbonyl-1-pyrrolidinyl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-oxomethyl]-4,6-dimethyl-7-oxo-1-phenoxazinyl]-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[2-[[8-amino-9-[[3-hydroxy-1-[[1-(2-methoxycarbonylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]carbamoyl]-4,6-dimethyl-7-oxophenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[[2-[[8-amino-9-[[1-[[1-(2-carbomethoxypyrrolidine-1-carbonyl)-2-methyl-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-7-keto-4,6-dimethyl-phenoxazine-1-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C46H62N8O14 MolecularWeight: 951.02968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)OC)N=C4C(=C(C(=O)C(=C4O2)C)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)OC)N=C4C(=C(C(=O)C(=C4O2)C)N)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)OC

InChI

InChI=1S/C46H62N8O14/c1-19(2)30(43(62)53-17-11-13-26(53)45(64)66-9)49-41(60)32(23(7)55)51-39(58)25-16-15-21(5)37-34(25)48-35-28(29(47)36(57)22(6)38(35)68-37)40(59)52-33(24(8)56)42(61)50-31(20(3)4)44(63)54-18-12-14-27(54)46(65)67-10/h15-16,19-20,23-24,26-27,30-33,55-56H,11-14,17-18,47H2,1-10H3,(H,49,60)(H,50,61)(H,51,58)(H,52,59)