3-Quinolinecarboxamide, N-[3-(acetylamino)-4-ethylphenyl]-1,4-dihydro-4-oxo-

Iupac Name：(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-3-carboxy-1-[(3S,4R)-4-hydroxy-3-methyl-1-oxonia-2-azabicyclo[1.1.0]butan-2-yl]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

CAS No.: 12769-07-2

Molecular Weight：915.01922

Modify Date.: 2022-03-22 04:27

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1. Names and Identifiers

1.1 Name: 3-Quinolinecarboxamide, N-[3-(acetylamino)-4-ethylphenyl]-1,4-dihydro-4-oxo-
1.2 Synonyms: 3-Quinolinecarboxam N-(3-Acetamido-4-et N-(3-Acétamido-4-ét

1.3 CAS No.: 12769-07-2

1.4 CID: 11963669

1.5 Molecular Formula: C₁₇H₂₇N₃O (isomer)

1.6 Inchi: InChI=1S/C40H67N9O15/c1-17(2)11-22(42-32(56)23(12-18(3)4)44-36(60)27(16-50)47-37(61)30(20(7)8)48-31(55)21(9)41)33(57)45-25(14-28(51)52)35(59)43-24(13-19(5)6)34(58)46-26(15-29(53)54)38(62)49-40(10)39(63)64(40)49/h17-27,30,39,50,63H,11-16,41H2,1-10H3,(H8-,42,43,44,45,46,47,48,51,52,53,54,55,56,57,58,59,60,61)/p+1/t21-,22-,23-,24-,25-,26-,27-,30-,39+,40-,49?/m0/s1

1.7 InChkey: CNGYCRCEAWEDIL-PHZZBMITSA-O

1.8 Canonical Smiles: CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)N1C2([O+]1C2O)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C)N

1.9 Isomers Smiles: C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1[C@]2([O+]1[C@H]2O)C)N

2. Properties