Chem
J-GLOBAL ID:200907073614589210
Nikkaji number:J2.188.254B
Asn-Leu-Ala-Val-Ser-Gln-Val-Val-His-Lys-OH
Asn-Leu-Ala-Val-Ser-Gln-Val-Val-His-Lys-OH
Download MOL file
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:
C48 H83 N15 O14
Molecular formula furigana:
C48-H83-N15-O14
Molecular weight:
1094.283
InChI:
InChI=1S/C48H83N15O14/c1-22(2)16-31(58-40(68)28(50)18-35(52)66)42(70)55-26(9)39(67)61-36(23(3)4)46(74)60-33(20-64)44(72)56-29(13-14-34(51)65)41(69)62-38(25(7)8)47(75)63-37(24(5)6)45(73)59-32(17-27-19-53-21-54-27)43(71)57-30(48(76)77)12-10-11-15-49/h19,21-26,28-33,36-38,64H,10-18,20,49-50H2,1-9H3,(H2,51,65)(H2,52,66)(H,53,54)(H,55,70)(H,56,72)(H,57,71)(H,58,68)(H,59,73)(H,60,74)(H,61,67)(H,62,69)(H,63,75)(H,76,77)/t26-,28-,29-,30-,31-,32-,33-,36-,37-,38-/m0/s1
InChI key:
CBRJQKRLRZWNDL-BBXCZNCNSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O
Systematic name (3):
Asn-Leu-Ala-Val-Ser-Gln-Val-Val-His-Lys-OH
(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-カルバモイルプロパンアミド]-4-メチルペンタンアミド]プロパンアミド]-3-メチルブタンアミド]-3-ヒドロキシプロパンアミド]-4-カルバモイルブタンアミド]-3-メチルブタンアミド]-3-メチルブタンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]ヘキサン酸
(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]propanamido]-3-methylbutanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-methylbutanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanamido]hexanoic acid
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