Chem
J-GLOBAL ID:200907007473301517   Nikkaji number:J2.047.976K

L-Ile-L-Asn-L-Trp-L-Lys-Gly-L-Ile-L-Ala-4-Cyano-L-Phe-L-Met-L-Ala-L-Lys-L-Lys-L-Leu-L-Leu-NH2

L-Ile-L-Asn-L-Trp-L-Lys-Gly-L-Ile-L-Ala-4-シアノ-L-Phe-L-Met-L-Ala-L-Lys-L-Lys-L-Leu-L-Leu-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: C80H129N21O15S
Molecular formula furigana: C80-H129-N21-O15-S
Molecular weight: 1657.100
InChI: InChI=1S/C80H129N21O15S/c1-12-46(7)66(86)79(115)100-63(40-64(85)102)78(114)99-62(39-52-42-88-54-23-15-14-22-53(52)54)77(113)93-55(24-16-19-32-81)71(107)89-43-65(103)101-67(47(8)13-2)80(116)91-49(10)70(106)97-61(38-50-27-29-51(41-84)30-28-50)76(112)95-58(31-35-117-11)72(108)90-48(9)69(105)92-56(25-17-20-33-82)73(109)94-57(26-18-21-34-83)74(110)98-60(37-45(5)6)75(111)96-59(68(87)104)36-44(3)4/h14-15,22-23,27-30,42,44-49,55-63,66-67,88H,12-13,16-21,24-26,31-40,43,81-83,86H2,1-11H3,(H2,85,102)(H2,87,104)(H,89,107)(H,90,108)(H,91,116)(H,92,105)(H,93,113)(H,94,109)(H,95,112)(H,96,111)(H,97,106)(H,98,110)(H,99,114)(H,100,115)(H,101,103)/t46-,47-,48-,49-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-,67-/m0/s1
InChI key: AQSVZTFYRXOOBB-JEFHBHIRSA-N
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)C#N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N
Systematic name  (3):
  • L-Ile-L-Asn-L-Trp-L-Lys-Gly-L-Ile-L-Ala-4-シアノ-L-Phe-L-Met-L-Ala-L-Lys-L-Lys-L-Leu-L-Leu-NH2
  • (2S)-N-[(1S)-1-{[(1S)-5-アミノ-1-[({[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-アミノ-1-{[(1S)-5-アミノ-1-{[(1S)-1-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}-3-メチルブチル]カルバモイル}ペンチル]カルバモイル}ペンチル]カルバモイル}エチル]カルバモイル}-3-(メチルスルファニル)プロピル]カルバモイル}-2-(4-シアノフェニル)エチル]カルバモイル}エチル]カルバモイル}-2-メチルブチル]カルバモイル}メチル)カルバモイル]ペンチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]-2-[(2S,3S)-2-アミノ-3-メチルペンタンアミド]ブタンジアミド
  • (2S)-N-[(1S)-1-{[(1S)-5-amino-1-[({[(1S,2S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-cyanophenyl)ethyl]carbamoyl}ethyl]carbamoyl}-2-methylbutyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(2S,3S)-2-amino-3-methylpentanamido]butanediamide
Other name (1):
  • L-Ile-L-Asn-L-Trp-L-Lys-Gly-L-Ile-L-Ala-4-Cyano-L-Phe-L-Met-L-Ala-L-Lys-L-Lys-L-Leu-L-Leu-NH2
Thsaurus map:

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