Chem
J-GLOBAL ID：200907021008428830   Nikkaji number：J1.559.018A

N6-Amidino-N2-[3-mercapto(1)-1-oxopropyl]-L-Lys-Gly-L-Asp-L-Trp-L-Pro-L-Cys(1)-NH2

N6-アミジノ-N2-[3-メルカプト(1)-1-オキソプロピル]-L-Lys-Gly-L-Asp-L-Trp-L-Pro-L-Cys(1)-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： C35H49N11O9S2
Molecular formula furigana： C35-H49-N11-O9-S2
Molecular weight： 831.970
InChI： InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22?,23-,24-,25-,26-/m0/s1
InChI key： CZKPOZZJODAYPZ-IQENKEMDSA-N
SMILES： NC(=N)NCCCCC1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N
Systematic name  (3)：
  • N6-アミジノ-N2-[3-メルカプト(1)-1-オキソプロピル]-L-Lys-Gly-L-Asp-L-Trp-L-Pro-L-Cys(1)-NH2
  • 2-[(3R,11S,17S,20S,25aS)-11-(4-カルバムイミドアミドブチル)-3-カルバモイル-20-[(1H-インドール-3-イル)メチル]-1,9,12,15,18,21-ヘキサオキソ-ドコサヒドロ-1H-ピロロ[2,1-g]1,2-ジチア-5,8,11,14,17,20-ヘキサアザシクロトリコサン-17-イル]酢酸
  • 2-[(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-3-carbamoyl-20-[(1H-indol-3-yl)methyl]-1,9,12,15,18,21-hexaoxo-docosahydro-1H-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid
Other name (1)：
  • N6-Amidino-N2-[3-mercapto(1)-1-oxopropyl]-L-Lys-Gly-L-Asp-L-Trp-L-Pro-L-Cys(1)-NH2
Thsaurus map：
Thesaurus Map

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