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]-4-methyl-1-oxidanylidene-pentan-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]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methyl-pentanamide hydrochloride Openeye 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-tetrahydropyran-4-yl]carbamoyl]-3-methyl-butyl]-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]-4-methyl-1-oxopentan-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]-4-methyl-1-oxopentan-2-yl]-2-amino-4-methylpentanamide hydrochloride Traditional Name: N-[1-[[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]carbamoyl]-3-methyl-butyl]-2-amino-4-methyl-valeramide hydrochloride Formula: C39H52ClN3O12 MolecularWeight: 790.29608

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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(CC(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(CC(C)C)NC(=O)C(CC(C)C)N)O.Cl

InChI

InChI=1S/C39H51N3O12.ClH/c1-16(2)11-22(40)37(49)42-24(12-17(3)4)38(50)41-23-13-27(53-18(5)32(23)44)54-26-15-39(51,19(6)43)14-21-29(26)36(48)31-30(34(21)46)33(45)20-9-8-10-25(52-7)28(20)35(31)47;/h8-10,16-18,22-24,26-27,32,44,46,48,51H,11-15,40H2,1-7H3,(H,41,50)(H,42,49);1H