Chem
J-GLOBAL ID：200907052911013690
Nikkaji number：J1.989.069D
N-[1,2-Bis(hexadecylcarbamoyl)ethyl]-Nβ-[1-oxo-9-(3-nitro-4-hydroxyphenylcarbamoyl)-4,7-dioxanonane-1-yl]-β-carboxy-β-alaninamide
3-{[1,2-ビス(ヘキサデシルカルバモイル)エチル]カルバモイル}-2-[3-(2-{2-[(4-ヒドロキシ-3-ニトロフェニル)カルバモイル]エトキシ}エトキシ)プロパンアミド]プロパン酸
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
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
Molecular formula： C54H94N5[N+]O11[O-]
Molecular formula furigana： C54-H94-N6-O12
Molecular weight： 1019.376
InChI：
InChI=1S/C54H94N6O12/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-55-51(64)42-45(53(66)56-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-52(65)43-46(54(67)68)59-50(63)34-38-72-40-39-71-37-33-49(62)57-44-31-32-48(61)47(41-44)60(69)70/h31-32,41,45-46,61H,3-30,33-40,42-43H2,1-2H3,(H,55,64)(H,56,66)(H,57,62)(H,58,65)(H,59,63)(H,67,68)
InChI key：
UBPILZFRJVFPPD-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCCCCCNC(=O)CC(NC(=O)CC(NC(=O)CCOCCOCCC(=O)Nc1ccc(O)c(c1)[N+](=O)[O-])C(=O)O)C(=O)NCCCCCCCCCCCCCCCC
Systematic name (3)：
- N-[1,2-ビス(ヘキサデシルカルバモイル)エチル]-Nβ-[1-オキソ-9-(3-ニトロ-4-ヒドロキシフェニルカルバモイル)-4,7-ジオキサノナン-1-イル]-β-カルボキシ-β-アラニンアミド
- 3-{[1,2-ビス(ヘキサデシルカルバモイル)エチル]カルバモイル}-2-[3-(2-{2-[(4-ヒドロキシ-3-ニトロフェニル)カルバモイル]エトキシ}エトキシ)プロパンアミド]プロパン酸
- 3-{[1,2-bis(hexadecylcarbamoyl)ethyl]carbamoyl}-2-[3-(2-{2-[(4-hydroxy-3-nitrophenyl)carbamoyl]ethoxy}ethoxy)propanamido]propanoic acid
- N-[1,2-Bis(hexadecylcarbamoyl)ethyl]-Nβ-[1-oxo-9-(3-nitro-4-hydroxyphenylcarbamoyl)-4,7-dioxanonane-1-yl]-β-carboxy-β-alaninamide
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