Chem
J-GLOBAL ID:200907060940089827
Nikkaji number:J732.533I
Amaninamide
アマニンアミド
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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 O13 S
Molecular formula furigana:
C39-H54-N10-O13-S
Molecular weight:
902.980
InChI:
InChI=1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t17?,18-,19+,23-,24-,25-,26-,27-,31-,32-,63?/m0/s1
InChI key:
BOHCOUQZNDPURZ-CJGFNBGKSA-N
SMILES:
CCC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4ccccc34)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2
Systematic name (3):
シクロ[L-Asn-L-t4Hyp-[(3R,4R)-4,5-ジヒドロキシ-3-メチル-L-Nva-]-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,8R,10S,13S,16S,34S)-34-(ブタン-2-イル)-13-[(2R,3R)-3,4-ジヒドロキシブタン-2-イル]-8-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,8R,10S,13S,16S,34S)-34-(butan-2-yl)-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-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):
アマニンアミド
Amaninamide
Cyclo[L-Asn-L-t4Hyp-[(3R,4R)-4,5-dihydroxy-3-methyl-L-Nva-]-L-Trp2(1)-Gly-3-methyl-L-Nva-Gly-3-oxomercapto(1)-L-Ala-]
CAS registry number:
58311-65-2
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