Chem
J-GLOBAL ID:200907028486740215
Nikkaji number:J1.363.449A
L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Arg-L-Arg-L-Ala-L-Arg-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-OH
L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Arg-L-Arg-L-Ala-L-Arg-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-OH
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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:
C57 H103 N25 O17
Molecular formula furigana:
C57-H103-N25-O17
Molecular weight:
1410.609
InChI:
InChI=1S/C57H103N25O17/c1-23(58)39(83)68-24(2)40(84)69-25(3)41(85)73-30(8)46(90)76-33(11)49(93)81-38(19-16-22-67-57(63)64)53(97)82-37(18-15-21-66-56(61)62)52(96)78-34(12)50(94)80-36(17-14-20-65-55(59)60)51(95)77-32(10)47(91)74-29(7)44(88)71-27(5)42(86)70-26(4)43(87)72-28(6)45(89)75-31(9)48(92)79-35(13)54(98)99/h23-38H,14-22,58H2,1-13H3,(H,68,83)(H,69,84)(H,70,86)(H,71,88)(H,72,87)(H,73,85)(H,74,91)(H,75,89)(H,76,90)(H,77,95)(H,78,96)(H,79,92)(H,80,94)(H,81,93)(H,82,97)(H,98,99)(H4,59,60,65)(H4,61,62,66)(H4,63,64,67)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChI key:
CXPNEAUBELIKSL-VOCJQFPDSA-N
SMILES:
C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
Systematic name (3):
L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Arg-L-Arg-L-Ala-L-Arg-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-L-Ala-OH
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノプロパンアミド]プロパンアミド]プロパンアミド]プロパンアミド]プロパンアミド]-5-カルバムイミドアミドペンタンアミド]-5-カルバムイミドアミドペンタンアミド]プロパンアミド]-5-カルバムイミドアミドペンタンアミド]プロパンアミド]プロパンアミド]プロパンアミド]プロパンアミド]プロパンアミド]プロパンアミド]プロパン酸
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]propanamido]propanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]propanamido]-5-carbamimidamidopentanamido]propanamido]propanamido]propanamido]propanamido]propanamido]propanamido]propanoic acid
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