Chem
J-GLOBAL ID:200907043282872855   Nikkaji number:J1.360.097J

L-Ser-L-Ile-L-Lys-L-Pro-L-Ser-L-Ala-L-Tyr-L-Leu-L-Pro-L-Leu-L-Arg-L-Phe-NH2

L-Ser-L-Ile-L-Lys-L-Pro-L-Ser-L-Ala-L-Tyr-L-Leu-L-Pro-L-Leu-L-Arg-L-Phe-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: C67H107N17O15
Molecular formula furigana: C67-H107-N17-O15
Molecular weight: 1390.697
InChI: InChI=1S/C67H107N17O15/c1-8-39(6)54(82-57(90)44(69)35-85)64(97)76-46(19-12-13-27-68)65(98)83-29-15-22-53(83)63(96)81-51(36-86)61(94)74-40(7)56(89)78-49(34-42-23-25-43(87)26-24-42)60(93)80-50(32-38(4)5)66(99)84-30-16-21-52(84)62(95)79-48(31-37(2)3)59(92)75-45(20-14-28-73-67(71)72)58(91)77-47(55(70)88)33-41-17-10-9-11-18-41/h9-11,17-18,23-26,37-40,44-54,85-87H,8,12-16,19-22,27-36,68-69H2,1-7H3,(H2,70,88)(H,74,94)(H,75,92)(H,76,97)(H,77,91)(H,78,89)(H,79,95)(H,80,93)(H,81,96)(H,82,90)(H4,71,72,73)/t39-,40-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53?,54-/m0/s1
InChI key: OBSUUHKDAWIACD-CGSRCDQYSA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCCC1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
Systematic name  (3):
  • L-Ser-L-Ile-L-Lys-L-Pro-L-Ser-L-Ala-L-Tyr-L-Leu-L-Pro-L-Leu-L-Arg-L-Phe-NH2
  • (2S,3S)-N-[(2S)-6-アミノ-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-カルバモイル-2-フェニルエチル]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}ピロリジン-1-イル]-4-メチル-1-オキソペンタン-2-イル]カルバモイル}-2-(4-ヒドロキシフェニル)エチル]カルバモイル}エチル]カルバモイル}-2-ヒドロキシエチル]カルバモイル}ピロリジン-1-イル]-1-オキソヘキサン-2-イル]-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-3-メチルペンタンアミド
  • (2S,3S)-N-[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamide
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