Chem
J-GLOBAL ID:200907016207593811   Nikkaji number:J2.088.657I

3-(L-Lys-L-Ser-)-7-(L-Thr-L-Gln-)-11-(L-His-L-His-)-3,7,11-Triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-15-carboxamide

3-(L-Lys-L-Ser-)-7-(L-Thr-L-Gln-)-11-(L-His-L-His-)-3,7,11-トリアザビシクロ[11.3.1]ヘプタデカ-1(17),13,15-トリエン-15-カルボアミド
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: C45H70N16O10
Molecular formula furigana: C45-H70-N16-O10
Molecular weight: 995.157
InChI: InChI=1S/C45H70N16O10/c1-26(63)38(50)42(68)56-34(7-8-37(49)64)43(69)59-10-4-12-60(44(70)35(18-31-20-53-25-55-31)57-41(67)33(48)17-30-19-52-24-54-30)21-27-14-28(16-29(15-27)39(51)65)22-61(13-5-11-59)45(71)36(23-62)58-40(66)32(47)6-2-3-9-46/h14-16,19-20,24-26,32-36,38,62-63H,2-13,17-18,21-23,46-48,50H2,1H3,(H2,49,64)(H2,51,65)(H,52,54)(H,53,55)(H,56,68)(H,57,67)(H,58,66)/t26-,32+,33+,34+,35+,36+,38+/m1/s1
InChI key: VUVNDTVROREDBJ-LOMHDYOMSA-N
SMILES: C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCCN(Cc2cc(CN(CCC1)C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)cc(c2)C(=O)N)C(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN
Systematic name  (3):
  • 3-(L-Lys-L-Ser-)-7-(L-Thr-L-Gln-)-11-(L-His-L-His-)-3,7,11-トリアザビシクロ[11.3.1]ヘプタデカ-1(17),13,15-トリエン-15-カルボアミド
  • 11-[(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-(1H-イミダゾール-4-イル)プロパノイル]-7-[(2S)-2-[(2S,3R)-2-アミノ-3-ヒドロキシブタンアミド]-4-カルバモイルブタノイル]-3-[(2S)-2-[(2S)-2,6-ジアミノヘキサンアミド]-3-ヒドロキシプロパノイル]-3,7,11-トリアザビシクロ[11.3.1]ヘプタデカ-1(17),13,15-トリエン-15-カルボキサミド
  • 11-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoyl]-7-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanoyl]-3-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanoyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-15-carboxamide
Other name (1):
  • 3-(L-Lys-L-Ser-)-7-(L-Thr-L-Gln-)-11-(L-His-L-His-)-3,7,11-Triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-15-carboxamide
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