Chem
J-GLOBAL ID：200907057801579630
Nikkaji number：J1.811.519K
N-[4-Oxo-4-[bis[3-[4-O-(D-glucopyranosyl)-D-gluconoylamino]propyl]amino]butyryl]-L-glutamic acid dihexadecyl 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-グルタミン酸ジヘキサデシル
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： C71H132N4O28
Molecular formula furigana： C71-H132-N4-O28
Molecular weight： 1489.837
InChI：
InChI=1S/C71H132N4O28/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41-98-54(84)36-33-47(69(97)99-42-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)74-52(82)34-35-53(83)75(39-31-37-72-67(95)61(91)59(89)65(48(80)43-76)102-70-63(93)57(87)55(85)50(45-78)100-70)40-32-38-73-68(96)62(92)60(90)66(49(81)44-77)103-71-64(94)58(88)56(86)51(46-79)101-71/h47-51,55-66,70-71,76-81,85-94H,3-46H2,1-2H3,(H,72,95)(H,73,96)(H,74,82)/t47-,48+,49+,50+,51+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,70?,71?/m0/s1
InChI key：
NLLIVECCZRXWIM-WTLNMCPESA-N
SMILES：
CCCCCCCCCCCCCCCCOC(=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)OCCCCCCCCCCCCCCCC
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-グルタミン酸ジヘキサデシル
- 1,5-ジヘキサデシル (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-dihexadecyl (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 dihexadecyl ester
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