(2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-[[(2S)-2-Aminopropanoyl]Amino]-4-Methylpentanamide Hydrochloride
[CAS# 74853-81-9]

Identification

• Name: (2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-[[(2S)-2-Aminopropanoyl]Amino]-4-Methylpentanamide Hydrochloride
• Synonyms: (2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-[[(2S)-2-Aminopropanoyl]Amino]-4-Methyl-Pentanamide Hydrochloride; (2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl]-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-4-Methylpentanamide Hydrochloride; (2S)-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-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]-2-(Alanylamino)-4-Methyl-Valeramide Hydrochloride
• Molecular Formula: C₃₆H₄₆ClN₃O₁₂
• Molecular Weight: 748.23
• CAS Registry Number: 74853-81-9
• SMILES: [C@H]2(O[C@@H]1O[C@H]([C@@H](O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)CC(C)C)C1)C)C[C@@](O)(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)C.[H+].[Cl-]
• InChI: 1S/C36H45N3O12.ClH/c1-14(2)10-21(39-34(46)15(3)37)35(47)38-20-11-24(50-16(4)29(20)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/t15-,16-,20-,21-,23-,24-,29+,36-;/m0./s1
• InChIKey: QLWFTWVXRLYFCG-DCAYDHBTSA-N