Chem
J-GLOBAL ID:200907000602730450   Nikkaji number:J2.241.058J

Cyclo[L-Asn-[(2S,9S)-2-amino-9-amino*-10-oxo-10-[(2S)-2α-[[(S)-1-(carbamoylmethylcarbamoyl)-3-methylbutyl]carbamoyl]pyrrolizino]decanoyl]-L-Tyr-L-Ile-L-Gln-]

シクロ[L-Asn-[(2S,9S)-2-アミノ-9-アミノ*-10-オキソ-10-[(2S)-2α-[[(S)-1-(カルバモイルメチルカルバモイル)-3-メチルブチル]カルバモイル]ピロリジノ]デカノイル]-L-Tyr-L-Ile-L-Gln-]
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: C47H74N12O12
Molecular formula furigana: C47-H74-N12-O12
Molecular weight: 999.181
InChI: InChI=1S/C47H74N12O12/c1-5-26(4)39-46(70)53-30(18-19-36(49)61)42(66)56-34(23-37(50)62)43(67)54-31(47(71)59-20-10-13-35(59)45(69)57-32(21-25(2)3)41(65)52-24-38(51)63)12-9-7-6-8-11-29(48)40(64)55-33(44(68)58-39)22-27-14-16-28(60)17-15-27/h14-17,25-26,29-35,39,60H,5-13,18-24,48H2,1-4H3,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,70)(H,54,67)(H,55,64)(H,56,66)(H,57,69)(H,58,68)/t26-,29-,30?,31-,32-,33-,34-,35-,39-/m0/s1
InChI key: PYBJDSUUVGVRPE-SYZVSYLLSA-N
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CCCCCC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N
Systematic name  (3):
  • シクロ[L-Asn-[(2S,9S)-2-アミノ-9-アミノ*-10-オキソ-10-[(2S)-2α-[[(S)-1-(カルバモイルメチルカルバモイル)-3-メチルブチル]カルバモイル]ピロリジノ]デカノイル]-L-Tyr-L-Ile-L-Gln-]
  • (2S)-2-{[(2S)-1-[(2S,5S,8S,11S,14S,21S)-21-アミノ-5-[(2S)-ブタン-2-イル]-8-(2-カルバモイルエチル)-11-(カルバモイルメチル)-2-[(4-ヒドロキシフェニル)メチル]-3,6,9,12,22-ペンタオキソ-1,4,7,10,13-ペンタアザシクロドコサン-14-カルボニル]ピロリジン-2-イル]ホルムアミド}-N-(カルバモイルメチル)-4-メチルペンタンアミド
  • (2S)-2-{[(2S)-1-[(2S,5S,8S,11S,14S,21S)-21-amino-5-[(2S)-butan-2-yl]-8-(2-carbamoylethyl)-11-(carbamoylmethyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,22-pentaoxo-1,4,7,10,13-pentaazacyclodocosane-14-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-4-methylpentanamide
Other name (1):
  • Cyclo[L-Asn-[(2S,9S)-2-amino-9-amino*-10-oxo-10-[(2S)-2α-[[(S)-1-(carbamoylmethylcarbamoyl)-3-methylbutyl]carbamoyl]pyrrolizino]decanoyl]-L-Tyr-L-Ile-L-Gln-]
Thsaurus map:

Return to Previous Page