Chem
J-GLOBAL ID:200907050766563977   Nikkaji number:J652.621G

L-Asn-L-Leu-L-Ile-L-Tyr-L-Arg-L-Leu-L-Arg-L-Tyr-NH2

L-Asn-L-Leu-L-Ile-L-Tyr-L-Arg-L-Leu-L-Arg-L-Tyr-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: C52H84N16O11
Molecular formula furigana: C52-H84-N16-O11
Molecular weight: 1109.345
InChI: InChI=1S/C52H84N16O11/c1-7-29(6)42(68-49(78)39(23-28(4)5)65-44(73)34(53)26-41(54)71)50(79)67-40(25-31-14-18-33(70)19-15-31)48(77)63-36(11-9-21-61-52(58)59)46(75)66-38(22-27(2)3)47(76)62-35(10-8-20-60-51(56)57)45(74)64-37(43(55)72)24-30-12-16-32(69)17-13-30/h12-19,27-29,34-40,42,69-70H,7-11,20-26,53H2,1-6H3,(H2,54,71)(H2,55,72)(H,62,76)(H,63,77)(H,64,74)(H,65,73)(H,66,75)(H,67,79)(H,68,78)(H4,56,57,60)(H4,58,59,61)/t29-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1
InChI key: PXAANFHGWQBXQR-ZSBWQBSESA-N
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N
Systematic name  (3):
  • L-Asn-L-Leu-L-Ile-L-Tyr-L-Arg-L-Leu-L-Arg-L-Tyr-NH2
  • (2S)-2-アミノ-N-[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-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}ブチル]カルバモイル}-3-メチルブチル]カルバモイル}ブチル]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}-2-メチルブチル]カルバモイル}-3-メチルブチル]ブタンジアミド
  • (2S)-2-amino-N-[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]butanediamide
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