2-azanyl-N-[1-[[6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-1-oxidanylidene-propan-2-yl]-4-methyl-pentanamide hydrochloride

Systemtic Name: 2-azanyl-N-[1-[[6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-1-oxidanylidene-propan-2-yl]-4-methyl-pentanamide hydrochloride Openeye Name: N-[2-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-1-methyl-2-oxo-ethyl]-2-amino-4-methyl-pentanamide hydrochloride CAS Name: N-[1-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]-1-oxopropan-2-yl]-2-amino-4-methylpentanamide hydrochloride IUPAC Name: N-[1-[[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-1-oxopropan-2-yl]-2-amino-4-methylpentanamide hydrochloride Traditional Name: N-[2-[[6-[(3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-2-keto-1-methyl-ethyl]-2-amino-4-methyl-valeramide hydrochloride Formula: C36H46ClN3O12 MolecularWeight: 748.21634

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)C(C)NC(=O)C(CC(C)C)N)O.Cl

Isomeric SMILES

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NC(=O)C(C)NC(=O)C(CC(C)C)N)O.Cl

InChI

InChI=1S/C36H45N3O12.ClH/c1-14(2)10-20(37)35(47)38-15(3)34(46)39-21-11-24(50-16(4)29(21)41)51-23-13-36(48,17(5)40)12-19-26(23)33(45)28-27(31(19)43)30(42)18-8-7-9-22(49-6)25(18)32(28)44;/h7-9,14-16,20-21,23-24,29,41,43,45,48H,10-13,37H2,1-6H3,(H,38,47)(H,39,46);1H