Chem
J-GLOBAL ID:201707016050879166   Nikkaji number:J3.606.602D

AS-2488059

シクロ[L-Asn-L-Leu-L-Phe-2-[3-(N-アセチル-N-ヒドロキシアミノ)プロピル]-L-Gly-2-[3-(N-アセチル-N-ヒドロキシアミノ)プロピル]-L-Gly-2-[3-(N-アセチル-N-ヒドロキシアミノ)プロピル]-L-Gly-]
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: C40H62N10O13
Molecular formula furigana: C40-H62-N10-O13
Molecular weight: 890.993
InChI: InChI=1S/C40H62N10O13/c1-23(2)20-31-38(58)46-32(21-27-12-7-6-8-13-27)39(59)44-29(15-10-18-49(62)25(4)52)36(56)42-28(14-9-17-48(61)24(3)51)35(55)43-30(16-11-19-50(63)26(5)53)37(57)47-33(22-34(41)54)40(60)45-31/h6-8,12-13,23,28-33,61-63H,9-11,14-22H2,1-5H3,(H2,41,54)(H,42,56)(H,43,55)(H,44,59)(H,45,60)(H,46,58)(H,47,57)/t28-,29-,30-,31-,32-,33-/m0/s1
InChI key: DAXDXNRCSUBRAB-FSJACQRISA-N
SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN(O)C(=O)C)NC(=O)[C@H](CCCN(O)C(=O)C)NC(=O)[C@H](CCCN(O)C(=O)C)NC(=O)[C@H](Cc2ccccc2)NC1=O
Systematic name  (3):
  • シクロ[L-Asn-L-Leu-L-Phe-2-[3-(N-アセチル-N-ヒドロキシアミノ)プロピル]-L-Gly-2-[3-(N-アセチル-N-ヒドロキシアミノ)プロピル]-L-Gly-2-[3-(N-アセチル-N-ヒドロキシアミノ)プロピル]-L-Gly-]
  • N-{3-[(2S,5S,8S,11S,14S,17S)-11-ベンジル-5-(カルバモイルメチル)-14,17-ビス[3-(N-ヒドロキシアセトアミド)プロピル]-8-(2-メチルプロピル)-3,6,9,12,15,18-ヘキサオキソ-1,4,7,10,13,16-ヘキサアザシクロオクタデカン-2-イル]プロピル}-N-ヒドロキシアセトアミド
  • N-{3-[(2S,5S,8S,11S,14S,17S)-11-benzyl-5-(carbamoylmethyl)-14,17-bis[3-(N-hydroxyacetamido)propyl]-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]propyl}-N-hydroxyacetamide
Other name (2):
  • Cyclo[L-Asn-L-Leu-L-Phe-2-[3-(N-acetyl-N-hydroxyamino)propyl]-L-Gly-2-[3-(N-acetyl-N-hydroxyamino)propyl]-L-Gly-2-[3-(N-acetyl-N-hydroxyamino)propyl]-L-Gly-]
  • AS-2488059
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