(2R,3R)-3-[[(2S)-2-Amino-6-[[(1S)-5-[(4-Amino-4-Oxobutanoyl)Amino]-8-Hydroxy-9-Oxo1,2,3,4-Tetrahydropyrimido[3,2-a]Quinoline-1-Carbonyl]Amino]Hexanoyl]Amino]-2-Hydroxy-4-[[(2S)-1-[[(2R,3R)-3-Hydroxy-1-[[(2S)-1-[[(3R)-1-Hydroxy-2-Oxopiperidin-3-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 76975-04-7]

Identification

• Name: (2R,3R)-3-[[(2S)-2-Amino-6-[[(1S)-5-[(4-Amino-4-Oxobutanoyl)Amino]-8-Hydroxy-9-Oxo1,2,3,4-Tetrahydropyrimido[3,2-a]Quinoline-1-Carbonyl]Amino]Hexanoyl]Amino]-2-Hydroxy-4-[[(2S)-1-[[(2R,3R)-3-Hydroxy-1-[[(2S)-1-[[(3R)-1-Hydroxy-2-Oxopiperidin-3-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: (2R,3R)-3-[[(2S)-2-Amino-6-[[(1S)-5-[(4-Amino-4-Oxo-Butanoyl)Amino]-8-Hydroxy-9-Oxo-1,2,3,4-Tetrahydropyrimido[3,2-A]Quinoline-1-Carbonyl]Amino]Hexanoyl]Amino]-2-Hydroxy-4-[[(1S)-2-[[(1R,2R)-2-Hydroxy-1-[[(1S)-2-[[(3R)-1-Hydroxy-2-Oxo-3-Piperidyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (2R,3R)-3-[[(2S)-2-Amino-6-[[[(1S)-5-[(4-Amino-1,4-Dioxobutyl)Amino]-8-Hydroxy-9-Oxo-1,2,3,4-Tetrahydropyrimido[3,2-A]Quinolin-1-Yl]-Oxomethyl]Amino]-1-Oxohexyl]Amino]-2-Hydroxy-4-[[(1S)-2-[[(1R,2R)-2-Hydroxy-1-[[[(1S)-2-[[(3R)-1-Hydroxy-2-Oxo-3-Piperidinyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]Propyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (2R,3R)-3-[[(2S)-2-Amino-6-[[(1S)-5-[(4-Amino-4-Keto-Butanoyl)Amino]-8-Hydroxy-9-Keto-1,2,3,4-Tetrahydropyrimido[3,2-A]Quinoline-1-Carbonyl]Amino]Hexanoyl]Amino]-2-Hydroxy-4-[[(1S)-2-[[(1R,2R)-2-Hydroxy-1-[[(1S)-2-[[(3R)-1-Hydroxy-2-Keto-3-Piperidyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyl]Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₂H₆₀N₁₂O₁₆
• Molecular Weight: 989.01
• CAS Registry Number: 76975-04-7
• SMILES: [C@@H]3(N1C(=C(NC(=O)CCC(=O)N)C=C2C1=CC(=O)C(=C2)O)NCC3)C(=O)NCCCC[C@H](N)C(=O)N[C@H]([C@@H](O)C(O)=O)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H]4CCCN(O)C4=O)C)[C@H](O)C)C
• InChI: 1S/C42H60N12O16/c1-18(35(61)50-23-8-6-14-53(70)41(23)67)47-39(65)31(20(3)55)51-36(62)19(2)48-40(66)32(33(60)42(68)69)52-37(63)22(43)7-4-5-12-46-38(64)25-11-13-45-34-24(49-30(59)10-9-29(44)58)15-21-16-27(56)28(57)17-26(21)54(25)34/h15-20,22-23,25,31-33,45,55-56,60,70H,4-14,43H2,1-3H3,(H2,44,58)(H,46,64)(H,47,65)(H,48,66)(H,49,59)(H,50,61)(H,51,62)(H,52,63)(H,68,69)/t18-,19-,20+,22-,23+,25-,31+,32+,33+/m0/s1
• InChIKey: UGBOUVVZXRMJNM-FUGGEZGHSA-N

Properties

• Density: 1.54g/cm³ (Cal.)