Chem
J-GLOBAL ID：200907067254477556
Nikkaji number：J1.949.326A
L-Ser-L-Thr-L-His-L-Phe-L-Leu-L-Pro-L-Arg-L-Phe-L-Lys-L-Gln-L-Ser-L-Glu-L-Pro-L-Glu-OH
L-Ser-L-Thr-L-His-L-Phe-L-Leu-L-Pro-L-Arg-L-Phe-L-Lys-L-Gln-L-Ser-L-Glu-L-Pro-L-Glu-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： C77H115N21O23
Molecular formula furigana： C77-H115-N21-O23
Molecular weight： 1702.891
InChI：
InChI=1S/C77H115N21O23/c1-41(2)33-55(94-68(112)53(35-44-17-8-5-9-18-44)92-69(113)54(36-45-37-83-40-85-45)93-73(117)62(42(3)101)96-63(107)46(79)38-99)75(119)98-32-14-21-57(98)71(115)88-48(20-12-30-84-77(81)82)65(109)91-52(34-43-15-6-4-7-16-43)67(111)86-47(19-10-11-29-78)64(108)87-49(23-26-59(80)102)66(110)95-56(39-100)70(114)89-50(24-27-60(103)104)74(118)97-31-13-22-58(97)72(116)90-51(76(120)121)25-28-61(105)106/h4-9,15-18,37,40-42,46-58,62,99-101H,10-14,19-36,38-39,78-79H2,1-3H3,(H2,80,102)(H,83,85)(H,86,111)(H,87,108)(H,88,115)(H,89,114)(H,90,116)(H,91,109)(H,92,113)(H,93,117)(H,94,112)(H,95,110)(H,96,107)(H,103,104)(H,105,106)(H,120,121)(H4,81,82,84)/t42-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,62+/m1/s1
InChI key：
YGKFXXAYYMFVSI-ZGNDRPJXSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
Systematic name (3)：
- L-Ser-L-Thr-L-His-L-Phe-L-Leu-L-Pro-L-Arg-L-Phe-L-Lys-L-Gln-L-Ser-L-Glu-L-Pro-L-Glu-OH
- (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-3-ヒドロキシブタンアミド]-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]-4-メチルペンタノイル]ピロリジン-2-イル]ホルムアミド}-5-カルバムイミドアミドペンタンアミド]-3-フェニルプロパンアミド]ヘキサンアミド]-4-カルバモイルブタンアミド]-3-ヒドロキシプロパンアミド]-4-カルボキシブタノイル]ピロリジン-2-イル]ホルムアミド}ペンタン二酸
- (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-phenylpropanamido]hexanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid
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