Chem
J-GLOBAL ID：200907064194791117   Nikkaji number：J576.947G

Ac-L-Cys-L-Asn-L-Pro-L-Arg-Gly-L-Asp-O-Methyl-L-Tyr-L-Ala-L-Cys-NH2

Ac-L-Cys-L-Asn-L-Pro-L-Arg-Gly-L-Asp-O-メチル-L-Tyr-L-Ala-L-Cys-NH2
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： C42H64N14O14S2
Molecular formula furigana： C42-H64-N14-O14-S2
Molecular weight： 1053.180
InChI： InChI=1S/C42H64N14O14S2/c1-20(35(63)55-28(18-71)34(44)62)49-37(65)25(14-22-8-10-23(70-3)11-9-22)53-38(66)26(16-33(60)61)51-32(59)17-48-36(64)24(6-4-12-47-42(45)46)52-40(68)30-7-5-13-56(30)41(69)27(15-31(43)58)54-39(67)29(19-72)50-21(2)57/h8-11,20,24-30,71-72H,4-7,12-19H2,1-3H3,(H2,43,58)(H2,44,62)(H,48,64)(H,49,65)(H,50,57)(H,51,59)(H,52,68)(H,53,66)(H,54,67)(H,55,63)(H,60,61)(H4,45,46,47)/t20-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChI key： GPYGLYFMUWCOQZ-VPPAEHESSA-N
SMILES： COc1ccc(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](C)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-メチル-L-Tyr-L-Ala-L-Cys-NH2
  • (3S)-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}-3-{[(1S)-1-{[(1S)-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}エチル]カルバモイル}-2-(4-メトキシフェニル)エチル]カルバモイル}プロパン酸
  • (3S)-3-{2-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-carbamoyl-2-[(2R)-2-acetamido-3-sulfanylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}pentanamido]acetamido}-3-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-(4-methoxyphenyl)ethyl]carbamoyl}propanoic acid
Other name (1)：
  • Ac-L-Cys-L-Asn-L-Pro-L-Arg-Gly-L-Asp-O-Methyl-L-Tyr-L-Ala-L-Cys-NH2
Thsaurus map：
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