Chem
J-GLOBAL ID：200907084686978302
Nikkaji number：J576.931K
Gly-D-Pen-Gly-L-His-L-Arg-Gly-L-Asp-L-Leu-L-Arg-L-Cys-L-Ala-OH
Gly-D-Pen-Gly-L-His-L-Arg-Gly-L-Asp-L-Leu-L-Arg-L-Cys-L-Ala-OH
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
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
Molecular formula： C45H77N19O14S2
Molecular formula furigana： C45-H77-N19-O14-S2
Molecular weight： 1172.350
InChI：
InChI=1S/C45H77N19O14S2/c1-21(2)12-26(37(72)61-25(9-7-11-53-44(49)50)36(71)63-29(19-79)40(75)57-22(3)42(77)78)62-39(74)28(14-33(68)69)59-31(66)17-54-35(70)24(8-6-10-52-43(47)48)60-38(73)27(13-23-16-51-20-56-23)58-32(67)18-55-41(76)34(45(4,5)80)64-30(65)15-46/h16,20-22,24-29,34,79-80H,6-15,17-19,46H2,1-5H3,(H,51,56)(H,54,70)(H,55,76)(H,57,75)(H,58,67)(H,59,66)(H,60,73)(H,61,72)(H,62,74)(H,63,71)(H,64,65)(H,68,69)(H,77,78)(H4,47,48,52)(H4,49,50,53)/t22-,24-,25-,26-,27-,28-,29-,34-/m0/s1
InChI key：
SRSUSDLPRHIZLE-VUTKMMNRSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](NC(=O)CN)C(C)(C)S)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)O
Systematic name (3)：
- Gly-D-Pen-Gly-L-His-L-Arg-Gly-L-Asp-L-Leu-L-Arg-L-Cys-L-Ala-OH
- (3S)-3-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-アミノアセトアミド)-3-メチル-3-スルファニルブタンアミド]アセトアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド]-5-カルバムイミドアミドペンタンアミド]アセトアミド}-3-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1R)-1-{[(1S)-1-カルボキシエチル]カルバモイル}-2-スルファニルエチル]カルバモイル}ブチル]カルバモイル}-3-メチルブチル]カルバモイル}プロパン酸
- (3S)-3-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-methyl-3-sulfanylbutanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-5-carbamimidamidopentanamido]acetamido}-3-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
Return to Previous Page
