Chem
J-GLOBAL ID：201507006239150990
Nikkaji number：J3.397.138I
N4-[2-[[2-(Hexadecanoylamino)-2-deoxy-β-D-glucopyranosyl]oxy]ethyl]cyclo[L-Asn-L-Gln-L-Tyr-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Phe-D-Phe-]
N4-[2-[[2-(ヘキサデカノイルアミノ)-2-デオキシ-β-D-グルコピラノシル]オキシ]エチル]シクロ[L-Asn-L-Gln-L-Tyr-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Phe-D-Phe-]
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： C90H132N14O19
Molecular formula furigana： C90-H132-N14-O19
Molecular weight： 1714.125
InChI：
InChI=1S/C90H132N14O19/c1-6-7-8-9-10-11-12-13-14-15-16-17-27-38-74(108)102-77-79(111)78(110)72(55-105)123-90(77)122-48-46-93-75(109)54-69-85(117)94-64(43-44-73(92)107)81(113)97-68(52-61-39-41-62(106)42-40-61)86(118)103-76(57(4)5)88(120)95-63(36-28-45-91)80(112)96-65(49-56(2)3)82(114)101-70(53-60-34-25-20-26-35-60)89(121)104-47-29-37-71(104)87(119)100-67(51-59-32-23-19-24-33-59)84(116)98-66(83(115)99-69)50-58-30-21-18-22-31-58/h18-26,30-35,39-42,56-57,63-72,76-79,90,105-106,110-111H,6-17,27-29,36-38,43-55,91H2,1-5H3,(H2,92,107)(H,93,109)(H,94,117)(H,95,120)(H,96,112)(H,97,113)(H,98,116)(H,99,115)(H,100,119)(H,101,114)(H,102,108)(H,103,118)
InChI key：
VGASLVPFYHPREY-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCCCCC(=O)NC1C(O)C(O)C(CO)OC1OCCNC(=O)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)N)NC1=O)C(C)C
Systematic name (3)：
- N4-[2-[[2-(ヘキサデカノイルアミノ)-2-デオキシ-β-D-グルコピラノシル]オキシ]エチル]シクロ[L-Asn-L-Gln-L-Tyr-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Phe-D-Phe-]
- N-[2-(2-{2-[21-(3-アミノプロピル)-3,6,27-トリベンジル-12-(2-カルバモイルエチル)-15-[(4-ヒドロキシフェニル)メチル]-24-(2-メチルプロピル)-1,4,7,10,13,16,19,22,25,28-デカオキソ-18-(プロパン-2-イル)-ドトリアコンタヒドロピロロ[1,2-a]1,4,7,10,13,16,19,22,25,28-デカアザシクロトリアコンタン-9-イル]アセトアミド}エトキシ)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]ヘキサデカンアミド
- N-[2-(2-{2-[21-(3-aminopropyl)-3,6,27-tribenzyl-12-(2-carbamoylethyl)-15-[(4-hydroxyphenyl)methyl]-24-(2-methylpropyl)-1,4,7,10,13,16,19,22,25,28-decaoxo-18-(propan-2-yl)-dotriacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28-decaazacyclotriacontan-9-yl]acetamido}ethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
- N4-[2-[[2-(Hexadecanoylamino)-2-deoxy-β-D-glucopyranosyl]oxy]ethyl]cyclo[L-Asn-L-Gln-L-Tyr-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Phe-D-Phe-]
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