Chem
J-GLOBAL ID：200907019119563650
Nikkaji number：J2.644.494B
L-Asn-L-Asp-L-Asp-L-Lys-L-Ile-L-Ile-L-Ile-L-Ile-L-Cys-L-Cys-L-Ile-L-Ile-OH
L-Asn-L-Asp-L-Asp-L-Lys-L-Ile-L-Ile-L-Ile-L-Ile-L-Cys-L-Cys-L-Ile-L-Ile-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： C60H106N14O18S2
Molecular formula furigana： C60-H106-N14-O18-S2
Molecular weight： 1375.710
InChI：
InChI=1S/C60H106N14O18S2/c1-13-28(7)43(55(86)68-38(26-93)53(84)67-39(27-94)54(85)70-45(30(9)15-3)59(90)74-48(60(91)92)33(12)18-6)71-57(88)46(31(10)16-4)73-58(89)47(32(11)17-5)72-56(87)44(29(8)14-2)69-50(81)35(21-19-20-22-61)64-51(82)37(25-42(78)79)66-52(83)36(24-41(76)77)65-49(80)34(62)23-40(63)75/h28-39,43-48,93-94H,13-27,61-62H2,1-12H3,(H2,63,75)(H,64,82)(H,65,80)(H,66,83)(H,67,84)(H,68,86)(H,69,81)(H,70,85)(H,71,88)(H,72,87)(H,73,89)(H,74,90)(H,76,77)(H,78,79)(H,91,92)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-,46-,47-,48-/m0/s1
InChI key：
HNWZXEJBHVXEOT-ZTHSRXNDSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)O
Systematic name (3)：
- L-Asn-L-Asp-L-Asp-L-Lys-L-Ile-L-Ile-L-Ile-L-Ile-L-Cys-L-Cys-L-Ile-L-Ile-OH
- (2S,3S)-2-[(2S,3S)-2-[(2R)-2-[(2R)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-3-カルバモイルプロパンアミド]-3-カルボキシプロパンアミド]-3-カルボキシプロパンアミド]ヘキサンアミド]-3-メチルペンタンアミド]-3-メチルペンタンアミド]-3-メチルペンタンアミド]-3-メチルペンタンアミド]-3-スルファニルプロパンアミド]-3-スルファニルプロパンアミド]-3-メチルペンタンアミド]-3-メチルペンタン酸
- (2S,3S)-2-[(2S,3S)-2-[(2R)-2-[(2R)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-carboxypropanamido]hexanamido]-3-methylpentanamido]-3-methylpentanamido]-3-methylpentanamido]-3-methylpentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylpentanamido]-3-methylpentanoic acid
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