Chem
J-GLOBAL ID:200907020066665063
Nikkaji number:J732.536C
Proamanullin
プロアマヌリン
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:
C39 H54 N10 O11 S
Molecular formula furigana:
C39-H54-N10-O11-S
Molecular weight:
870.980
InChI:
InChI=1S/C39H54N10O11S/c1-5-18(3)31-36(57)42-15-29(52)43-26-17-61(60)38-22(21-10-9-20(50)12-23(21)46-38)13-24(33(54)41-16-30(53)47-31)44-37(58)32(19(4)6-2)48-35(56)27-8-7-11-49(27)39(59)25(14-28(40)51)45-34(26)55/h9-10,12,18-19,24-27,31-32,46,50H,5-8,11,13-17H2,1-4H3,(H2,40,51)(H,41,54)(H,42,57)(H,43,52)(H,44,58)(H,45,55)(H,47,53)(H,48,56)/t18?,19-,24-,25-,26-,27-,31-,32?,61?/m0/s1
InChI key:
CTYHFRWAIRSHQT-LVXQWFSSSA-N
SMILES:
CCC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)NC([C@@H](C)CC)C(=O)N2
Systematic name (3):
シクロ[L-Asn-L-Pro-L-Ile-6-ヒドロキシ-L-Trp2(1)-Gly-3-メチル-L-Nva-Gly-3-オキソメルカプト(1)-L-Ala-]
2-[(1R,4S,10S,13S,16S,34S)-34-(ブタン-2-イル)-13-[(2S)-ブタン-2-イル]-22-ヒドロキシ-2,5,11,14,27,30,33,36,39-ノナオキソ-27λ4 -チア-3,6,12,15,25,29,32,35,38-ノナアザペンタシクロ[14.12.11.06,10 .018,26 .019,24 ]ノナトリアコンタ-18(26),19,21,23-テトラエン-4-イル]アセトアミド
2-[(1R,4S,10S,13S,16S,34S)-34-(butan-2-yl)-13-[(2S)-butan-2-yl]-22-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4 -thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo[14.12.11.06,10 .018,26 .019,24 ]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
Other name (3):
プロアマヌリン
Proamanullin
Cyclo[L-Asn-L-Pro-L-Ile-6-hydroxy-L-Trp2(1)-Gly-3-methyl-L-Nva-Gly-3-oxomercapto(1)-L-Ala-]
CAS registry number:
54532-46-6
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