Chem
J-GLOBAL ID：200907043177853438
Nikkaji number：J576.941H
Ac-L-Cys-L-Asn-L-Pro-L-Arg-Gly-L-Asp-O-Butyl-L-Tyr-L-Arg-L-Cys-NH2
Ac-L-Cys-L-Asn-L-Pro-L-Arg-Gly-L-Asp-O-ブチル-L-Tyr-L-Arg-L-Cys-NH2
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： C48H77N17O14S2
Molecular formula furigana： C48-H77-N17-O14-S2
Molecular weight： 1180.370
InChI：
InChI=1S/C48H77N17O14S2/c1-3-4-18-79-27-13-11-26(12-14-27)19-30(42(74)60-29(9-6-16-56-48(53)54)41(73)64-33(23-80)39(50)71)62-43(75)31(21-38(69)70)59-37(68)22-57-40(72)28(8-5-15-55-47(51)52)61-45(77)35-10-7-17-65(35)46(78)32(20-36(49)67)63-44(76)34(24-81)58-25(2)66/h11-14,28-35,80-81H,3-10,15-24H2,1-2H3,(H2,49,67)(H2,50,71)(H,57,72)(H,58,66)(H,59,68)(H,60,74)(H,61,77)(H,62,75)(H,63,76)(H,64,73)(H,69,70)(H4,51,52,55)(H4,53,54,56)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
InChI key：
OFPZBNDSSMRRFA-DZCXQCEKSA-N
SMILES：
CCCCOc1ccc(C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N)cc1
Systematic name (3)：
- Ac-L-Cys-L-Asn-L-Pro-L-Arg-Gly-L-Asp-O-ブチル-L-Tyr-L-Arg-L-Cys-NH2
- (3S)-3-{[(1S)-2-(4-ブトキシフェニル)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1R)-1-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}エチル]カルバモイル}-3-{2-[(2S)-5-カルバムイミドアミド-2-{[(2S)-1-[(2S)-3-カルバモイル-2-[(2R)-2-アセトアミド-3-スルファニルプロパンアミド]プロパノイル]ピロリジン-2-イル]ホルムアミド}ペンタンアミド]アセトアミド}プロパン酸
- (3S)-3-{[(1S)-2-(4-butoxyphenyl)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}ethyl]carbamoyl}-3-{2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2R)-2-acetamido-3-sulfanylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}pentanamido]acetamido}propanoic acid
- Ac-L-Cys-L-Asn-L-Pro-L-Arg-Gly-L-Asp-O-Butyl-L-Tyr-L-Arg-L-Cys-NH2
Return to Previous Page
