Chem
J-GLOBAL ID：200907005068173398
Nikkaji number：J1.958.171C
L-Trp-L-Pro-L-His-L-Asn-L-Trp-L-Trp-L-Pro-L-His-L-Phe-L-Lys-L-Val-L-Lys-OH
L-Trp-L-Pro-L-His-L-Asn-L-Trp-L-Trp-L-Pro-L-His-L-Phe-L-Lys-L-Val-L-Lys-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： C85H108N22O14
Molecular formula furigana： C85-H108-N22-O14
Molecular weight： 1661.939
InChI：
InChI=1S/C85H108N22O14/c1-48(2)73(82(117)98-63(85(120)121)27-13-15-31-87)105-74(109)62(26-12-14-30-86)97-75(110)64(34-49-18-4-3-5-19-49)99-77(112)66(38-53-44-90-46-95-53)103-81(116)71-29-17-33-107(71)84(119)69(37-52-43-94-61-25-11-8-22-57(52)61)104-76(111)65(36-51-42-93-60-24-10-7-21-56(51)60)100-79(114)68(40-72(89)108)101-78(113)67(39-54-45-91-47-96-54)102-80(115)70-28-16-32-106(70)83(118)58(88)35-50-41-92-59-23-9-6-20-55(50)59/h3-11,18-25,41-48,58,62-71,73,92-94H,12-17,26-40,86-88H2,1-2H3,(H2,89,108)(H,90,95)(H,91,96)(H,97,110)(H,98,117)(H,99,112)(H,100,114)(H,101,113)(H,102,115)(H,103,116)(H,104,111)(H,105,109)(H,120,121)/t58-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,73-/m0/s1
InChI key：
CELDDVLZBXLZQH-ORBKQRORSA-N
SMILES：
CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3)：
- L-Trp-L-Pro-L-His-L-Asn-L-Trp-L-Trp-L-Pro-L-His-L-Phe-L-Lys-L-Val-L-Lys-OH
- (2S)-6-アミノ-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-アミノ-3-(1H-インドール-3-イル)プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-カルバモイルプロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]-3-(1H-インドール-3-イル)プロパノイル]ピロリジン-2-イル]ホルムアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド]-3-フェニルプロパンアミド]ヘキサンアミド]-3-メチルブタンアミド]ヘキサン酸
- (2S)-6-amino-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]hexanamido]-3-methylbutanamido]hexanoic acid
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