Chem
J-GLOBAL ID:200907018637605808   Nikkaji number:J2.625.445K

Ac-L-Val-L-Tyr-L-Ala-L-Cys-L-Leu-L-Ser-Gly-N6-(2-α-D-Mannopyranosylethyl)-L-Lys-L-Asp-L-Ala-OH

Ac-L-Val-L-Tyr-L-Ala-L-Cys-L-Leu-L-Ser-Gly-N6-(2-α-D-マンノピラノシルエチル)-L-Lys-L-Asp-L-Ala-OH
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: C54H87N11O21S
Molecular formula furigana: C54-H87-N11-O21-S
Molecular weight: 1258.410
InChI: InChI=1S/C54H87N11O21S/c1-25(2)18-33(61-52(82)37(24-87)65-46(76)27(5)57-49(79)34(19-30-11-13-31(69)14-12-30)63-53(83)42(26(3)4)59-29(7)68)51(81)64-36(22-66)47(77)56-21-40(70)60-32(48(78)62-35(20-41(71)72)50(80)58-28(6)54(84)85)10-8-9-16-55-17-15-38-43(73)45(75)44(74)39(23-67)86-38/h11-14,25-28,32-39,42-45,55,66-67,69,73-75,87H,8-10,15-24H2,1-7H3,(H,56,77)(H,57,79)(H,58,80)(H,59,68)(H,60,70)(H,61,82)(H,62,78)(H,63,83)(H,64,81)(H,65,76)(H,71,72)(H,84,85)/t27-,28-,32-,33-,34-,35-,36-,37-,38+,39+,42-,43+,44+,45+/m0/s1
InChI key: AYNGVKDVDAHBAT-VQNHAACMSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)C)C(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCCNCC[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O
Systematic name  (3):
  • Ac-L-Val-L-Tyr-L-Ala-L-Cys-L-Leu-L-Ser-Gly-N6-(2-α-D-マンノピラノシルエチル)-L-Lys-L-Asp-L-Ala-OH
  • (3S)-3-{[(1S)-1-カルボキシエチル]カルバモイル}-3-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-アセトアミド-3-メチルブタンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]プロパンアミド]-3-スルファニルプロパンアミド]-4-メチルペンタンアミド]-3-ヒドロキシプロパンアミド]アセトアミド}-6-({2-[(2R,3S,4R,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]エチル}アミノ)ヘキサンアミド]プロパン酸
  • (3S)-3-{[(1S)-1-carboxyethyl]carbamoyl}-3-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]-3-sulfanylpropanamido]-4-methylpentanamido]-3-hydroxypropanamido]acetamido}-6-({2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl}amino)hexanamido]propanoic acid
Other name (1):
  • Ac-L-Val-L-Tyr-L-Ala-L-Cys-L-Leu-L-Ser-Gly-N6-(2-α-D-Mannopyranosylethyl)-L-Lys-L-Asp-L-Ala-OH
Thsaurus map:

Return to Previous Page