(3R)-3-Amino-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-Amino-6-[[5-[(4-Amino-4-Oxobutanoyl)Amino]-8,9-Dihydroxy2,3,5,6-Tetrahydro-1H-Pyrimido[3,2-a]Quinoline-1-Carbonyl]Amino]Hexanoyl]-[(2S)-2-[[(3R)-1-Hydroxy-2-Oxopiperidin-3-Yl]Amino]Propanoyl]Amino]-3-Hydroxy-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-2-Hydroxy-4-Oxobutanoic Acid
[CAS# 79438-64-5]

Identification

• Name: (3R)-3-Amino-4-[[(2S)-1-[[(2R,3R)-1-[[(2S)-2-Amino-6-[[5-[(4-Amino-4-Oxobutanoyl)Amino]-8,9-Dihydroxy2,3,5,6-Tetrahydro-1H-Pyrimido[3,2-a]Quinoline-1-Carbonyl]Amino]Hexanoyl]-[(2S)-2-[[(3R)-1-Hydroxy-2-Oxopiperidin-3-Yl]Amino]Propanoyl]Amino]-3-Hydroxy-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-2-Hydroxy-4-Oxobutanoic Acid
• Synonyms: (3R)-3-Amino-4-[[(1S)-2-[[(1R,2R)-1-[[(2S)-2-Amino-6-[[5-[(4-Amino-4-Oxo-Butanoyl)Amino]-8,9-Dihydroxy-2,3,5,6-Tetrahydro-1H-Pyrimido[3,2-A]Quinoline-1-Carbonyl]Amino]Hexanoyl]-[(2S)-2-[[(3R)-1-Hydroxy-2-Oxo-3-Piperidyl]Amino]Propanoyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-2-Hydroxy-4-Oxo-Butanoic Acid; (3R)-3-Amino-4-[[(1S)-2-[[(1R,2R)-1-[[[(2S)-2-Amino-6-[[[5-[(4-Amino-1,4-Dioxobutyl)Amino]-8,9-Dihydroxy-2,3,5,6-Tetrahydro-1H-Pyrimido[3,2-A]Quinolin-1-Yl]-Oxomethyl]Amino]-1-Oxohexyl]-[(2S)-2-[[(3R)-1-Hydroxy-2-Oxo-3-Piperidinyl]Amino]-1-Oxopropyl]Amino]-Oxomethyl]-2-Hydroxypropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-2-Hydroxy-4-Oxobutanoic Acid; (3R)-3-Amino-4-[[(1S)-2-[[(1R,2R)-1-[[(2S)-2-Amino-6-[[5-[(4-Amino-4-Keto-Butanoyl)Amino]-8,9-Dihydroxy-2,3,5,6-Tetrahydro-1H-Pyrimido[3,2-A]Quinoline-1-Carbonyl]Amino]Hexanoyl]-[(2S)-2-[[(3R)-1-Hydroxy-2-Keto-3-Piperidyl]Amino]Propanoyl]Carbamoyl]-2-Hydroxy-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-2-Hydroxy-4-Keto-Butyric Acid
• Molecular Formula: C₄₂H₆₂N₁₂O₁₆
• Molecular Weight: 991.02
• CAS Registry Number: 79438-64-5
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)[C@H](N)C(O)C(=O)O)C)(C(=O)N(C(=O)[C@@H](N[C@H]1C(=O)N(O)CCC1)C)C(=O)[C@@H](N)CCCCNC(=O)C3N2C4=C(CC(NC(=O)CCC(=O)N)C2=NCC3)C=C(O)C(=C4)O)[C@H](O)C
• InChI: 1S/C42H62N12O16/c1-18(49-37(63)31(45)33(60)42(68)69)35(61)51-32(20(3)55)41(67)54(38(64)19(2)48-23-8-6-14-52(70)40(23)66)39(65)22(43)7-4-5-12-47-36(62)25-11-13-46-34-24(50-30(59)10-9-29(44)58)15-21-16-27(56)28(57)17-26(21)53(25)34/h16-20,22-25,31-33,48,55-57,60,70H,4-15,43,45H2,1-3H3,(H2,44,58)(H,47,62)(H,49,63)(H,50,59)(H,51,61)(H,68,69)/t18-,19-,20+,22-,23+,24?,25?,31+,32+,33?/m0/s1
• InChIKey: DKRKCXQSIKKJRX-ANCZQRAUSA-N

Properties

• Density: 1.662g/cm³ (Cal.)