Chem
J-GLOBAL ID：200907016366227710
Nikkaji number：J708.747K
L-Phe-L-Gln-L-Trp-L-Gln-L-Arg-L-Asn-L-Met-L-Arg-L-Lys-L-Val-L-Arg-OH
L-Phe-L-Gln-L-Trp-L-Gln-L-Arg-L-Asn-L-Met-L-Arg-L-Lys-L-Val-L-Arg-OH
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
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
Molecular formula： C68H109N25O15S
Molecular formula furigana： C68-H109-N25-O15-S
Molecular weight： 1548.840
InChI：
InChI=1S/C68H109N25O15S/c1-36(2)54(64(106)90-48(65(107)108)21-13-30-82-68(78)79)93-61(103)42(18-9-10-27-69)85-56(98)43(19-11-28-80-66(74)75)87-60(102)47(26-31-109-3)89-63(105)50(34-53(73)96)92-57(99)44(20-12-29-81-67(76)77)86-58(100)46(23-25-52(72)95)88-62(104)49(33-38-35-83-41-17-8-7-16-39(38)41)91-59(101)45(22-24-51(71)94)84-55(97)40(70)32-37-14-5-4-6-15-37/h4-8,14-17,35-36,40,42-50,54,83H,9-13,18-34,69-70H2,1-3H3,(H2,71,94)(H2,72,95)(H2,73,96)(H,84,97)(H,85,98)(H,86,100)(H,87,102)(H,88,104)(H,89,105)(H,90,106)(H,91,101)(H,92,99)(H,93,103)(H,107,108)(H4,74,75,80)(H4,76,77,81)(H4,78,79,82)/t40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
InChI key：
REQZSBIQWVEMGE-ILLRJGRCSA-N
SMILES：
CSCC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Systematic name (3)：
- L-Phe-L-Gln-L-Trp-L-Gln-L-Arg-L-Asn-L-Met-L-Arg-L-Lys-L-Val-L-Arg-OH
- (2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-フェニルプロパンアミド]-4-カルバモイルブタンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-4-カルバモイルブタンアミド]-5-カルバムイミドアミドペンタンアミド]-3-カルバモイルプロパンアミド]-4-(メチルスルファニル)ブタンアミド]-5-カルバムイミドアミドペンタンアミド]ヘキサンアミド]-3-メチルブタンアミド]-5-カルバムイミドアミドペンタン酸
- (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carbamoylbutanamido]-3-(1H-indol-3-yl)propanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]hexanamido]-3-methylbutanamido]-5-carbamimidamidopentanoic acid
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