Chem
J-GLOBAL ID:200907004581439917
Nikkaji number:J2.418.603B
(6R,7R)-7-[2-(2-Amino-4-thiazolyl)-2-[(Z)-1-carboxy-1-methylethoxyimino]acetylamino]-8-oxo-3-[[1-methyl-4-(5-aminopentyl)-5-amino-1H-pyrazole-2-ium]-2-ylmethyl]-5-thia-1-azabicyclo[4.2.0]octane-2-ene-2-carboxylate
(6R,7R)-7-[2-(2-アミノ-4-チアゾリル)-2-[(Z)-1-カルボキシ-1-メチルエトキシイミノ]アセチルアミノ]-8-オキソ-3-[[1-メチル-4-(5-アミノペンチル)-5-アミノ-1H-ピラゾール-2-イウム]-2-イルメチル]-5-チア-1-アザビシクロ[4.2.0]オクタン-2-エン-2-カルボキシラート
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C26 H34 N8 [N+]O5 [O-]2 S2
Molecular formula furigana:
C26-H34-N9-O7-S2
Molecular weight:
648.730
InChI:
InChI=1S/C26H35N9O7S2/c1-26(2,24(40)41)42-32-16(15-12-44-25(29)30-15)20(36)31-17-21(37)35-18(23(38)39)14(11-43-22(17)35)10-34-9-13(19(28)33(34)3)7-5-4-6-8-27/h9,12,17,22,28H,4-8,10-11,27H2,1-3H3,(H5,29,30,31,36,38,39,40,41)/p-1/b32-16-/t17-,22-/m1/s1
InChI key:
YNRDPVMTJHFLEZ-LYRTUFMJSA-M
SMILES:
Cn1c(N)c(CCCCCN)c[n+]1CC1=C(N2[C@H](SC1)[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])/c1csc(N)n1)C2=O)C(=O)[O-]
Systematic name (3):
(6R,7R)-7-[2-(2-アミノ-4-チアゾリル)-2-[(Z)-1-カルボキシ-1-メチルエトキシイミノ]アセチルアミノ]-8-オキソ-3-[[1-メチル-4-(5-アミノペンチル)-5-アミノ-1H-ピラゾール-2-イウム]-2-イルメチル]-5-チア-1-アザビシクロ[4.2.0]オクタン-2-エン-2-カルボキシラート
5-アミノ-2-{[(6R,7R)-7-[(2Z)-2-(2-アミノ-1,3-チアゾール-4-イル)-2-[(1-カルボキシラト-1-メチルエトキシ)イミノ]アセトアミド]-2-カルボキシラト-8-オキソ-5-チア-1-アザビシクロ[4.2.0]オクタ-2-エン-3-イル]メチル}-4-(5-アミノペンチル)-1-メチル-1H-ピラゾール-2-イウム
5-amino-2-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(1-carboxylato-1-methylethoxy)imino]acetamido]-2-carboxylato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-4-(5-aminopentyl)-1-methyl-1H-pyrazol-2-ium
Other name (1):
(6R,7R)-7-[2-(2-Amino-4-thiazolyl)-2-[(Z)-1-carboxy-1-methylethoxyimino]acetylamino]-8-oxo-3-[[1-methyl-4-(5-aminopentyl)-5-amino-1H-pyrazole-2-ium]-2-ylmethyl]-5-thia-1-azabicyclo[4.2.0]octane-2-ene-2-carboxylate
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