Chem
J-GLOBAL ID:200907075233665207
Nikkaji number:J345.422C
VIP(1-15)
VIP(1-15)
Download MOL file
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:
C79 H124 N26 O24
Molecular formula furigana:
C79-H124-N26-O24
Molecular weight:
1822.019
InChI:
InChI=1S/C79H124N26O24/c1-37(2)27-50(69(121)94-48(18-13-25-89-78(84)85)66(118)93-47(63(83)115)17-11-12-24-80)96-67(119)49(19-14-26-90-79(86)87)95-76(128)61(40(6)107)104-72(124)51(29-43-20-22-45(109)23-21-43)97-70(122)53(31-57(82)110)98-71(123)55(33-59(113)114)101-77(129)62(41(7)108)105-73(125)52(28-42-15-9-8-10-16-42)100-75(127)60(38(3)4)103-64(116)39(5)92-68(120)54(32-58(111)112)99-74(126)56(35-106)102-65(117)46(81)30-44-34-88-36-91-44/h8-10,15-16,20-23,34,36-41,46-56,60-62,106-109H,11-14,17-19,24-33,35,80-81H2,1-7H3,(H2,82,110)(H2,83,115)(H,88,91)(H,92,120)(H,93,118)(H,94,121)(H,95,128)(H,96,119)(H,97,122)(H,98,123)(H,99,126)(H,100,127)(H,101,129)(H,102,117)(H,103,116)(H,104,124)(H,105,125)(H,111,112)(H,113,114)(H4,84,85,89)(H4,86,87,90)/t39-,40+,41+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-,62-/m0/s1
InChI key:
CUXKSPIPJZPYOD-WLADSLAWSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N
Systematic name (3):
L-His-L-Ser-L-Asp-L-Ala-L-Val-L-Phe-L-Thr-L-Asp-L-Asn-L-Tyr-L-Thr-L-Arg-L-Leu-L-Arg-L-Lys-NH2
(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-アミノ-1-カルバモイルペンチル]カルバモイル}-4-カルバムイミドアミドブチル]カルバモイル}-3-メチルブチル]カルバモイル}-4-カルバムイミドアミドブチル]カルバモイル}-2-ヒドロキシプロピル]カルバモイル}-2-(4-ヒドロキシフェニル)エチル]カルバモイル}-2-カルバモイルエチル]カルバモイル}-3-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-ヒドロキシプロパンアミド]-3-カルボキシプロパンアミド]プロパンアミド]-3-メチルブタンアミド]-3-フェニルプロパンアミド]-3-ヒドロキシブタンアミド]プロパン酸
(3S)-3-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-3-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-carboxypropanamido]propanamido]-3-methylbutanamido]-3-phenylpropanamido]-3-hydroxybutanamido]propanoic acid
Other name (3):
VIP(1-15)
血管作動性小腸ポリペプチド(1-15)
Vasoactive intestinal polypeptide(1-15)
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