Chem
J-GLOBAL ID：200907069941551009
Nikkaji number：J2.644.498E
L-Ser-L-Cys-Gly-Gly-L-Ile-L-Ile-L-Ile-L-Ile-L-Ser-L-Cys-L-Ile-L-Ala-OH
L-Ser-L-Cys-Gly-Gly-L-Ile-L-Ile-L-Ile-L-Ile-L-Ser-L-Cys-L-Ile-L-Ala-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： C49H88N12O15S2
Molecular formula furigana： C49-H88-N12-O15-S2
Molecular weight： 1149.430
InChI：
InChI=1S/C49H88N12O15S2/c1-12-23(6)35(57-34(65)18-51-33(64)17-52-41(67)31(21-77)55-40(66)29(50)19-62)46(72)60-38(26(9)15-4)48(74)61-39(27(10)16-5)47(73)59-37(25(8)14-3)45(71)54-30(20-63)42(68)56-32(22-78)43(69)58-36(24(7)13-2)44(70)53-28(11)49(75)76/h23-32,35-39,62-63,77-78H,12-22,50H2,1-11H3,(H,51,64)(H,52,67)(H,53,70)(H,54,71)(H,55,66)(H,56,68)(H,57,65)(H,58,69)(H,59,73)(H,60,72)(H,61,74)(H,75,76)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,35-,36-,37-,38-,39-/m0/s1
InChI key：
GFQCIFOJZDBLCR-BMRUUVSKSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O
Systematic name (3)：
- L-Ser-L-Cys-Gly-Gly-L-Ile-L-Ile-L-Ile-L-Ile-L-Ser-L-Cys-L-Ile-L-Ala-OH
- (2S)-2-[(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-(2-{2-[(2R)-2-[(2S)-2-アミノ-3-ヒドロキシプロパンアミド]-3-スルファニルプロパンアミド]アセトアミド}アセトアミド)-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-ヒドロキシプロパンアミド]-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]プロパン酸
- (2S)-2-[(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-[(2S,3S)-2-(2-{2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]acetamido}acetamido)-3-methylpentanamido]-3-methylpentanamido]-3-methylpentanamido]-3-methylpentanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-methylpentanamido]propanoic acid
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