Chem
J-GLOBAL ID：200907059843815302
Nikkaji number：J1.811.520D
N-[4-Oxo-4-[bis[3-[4-O-(D-glucopyranosyl)-D-gluconoylamino]propyl]amino]butyryl]-L-glutamic acid dioctadecyl ester
N-[4-オキソ-4-[ビス[3-[4-O-(D-グルコピラノシル)-D-グルコノイルアミノ]プロピル]アミノ]ブチリル]-L-グルタミン酸ジオクタデシル
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： C75H140N4O28
Molecular formula furigana： C75-H140-N4-O28
Molecular weight： 1545.945
InChI：
InChI=1S/C75H140N4O28/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-45-102-58(88)40-37-51(73(101)103-46-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)78-56(86)38-39-57(87)79(43-35-41-76-71(99)65(95)63(93)69(52(84)47-80)106-74-67(97)61(91)59(89)54(49-82)104-74)44-36-42-77-72(100)66(96)64(94)70(53(85)48-81)107-75-68(98)62(92)60(90)55(50-83)105-75/h51-55,59-70,74-75,80-85,89-98H,3-50H2,1-2H3,(H,76,99)(H,77,100)(H,78,86)/t51-,52+,53+,54+,55+,59+,60+,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,74?,75?/m0/s1
InChI key：
BAYAVPRRRDEBMM-NXNLNCPLSA-N
SMILES：
CCCCCCCCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO)C(=O)OCCCCCCCCCCCCCCCCCC
Systematic name (3)：
- N-[4-オキソ-4-[ビス[3-[4-O-(D-グルコピラノシル)-D-グルコノイルアミノ]プロピル]アミノ]ブチリル]-L-グルタミン酸ジオクタデシル
- 1,5-ジオクタデシル (2S)-2-{3-[ビス({3-[(2R,3R,4R,5R)-2,3,5,6-テトラヒドロキシ-4-{[(3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ヘキサンアミド]プロピル})カルバモイル]プロパンアミド}ペンタンジオアート
- 1,5-dioctadecyl (2S)-2-{3-[bis({3-[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanamido]propyl})carbamoyl]propanamido}pentanedioate
- N-[4-Oxo-4-[bis[3-[4-O-(D-glucopyranosyl)-D-gluconoylamino]propyl]amino]butyryl]-L-glutamic acid dioctadecyl ester
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