(Q76100852)

English

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[4-(carboxymethyl)phenyl]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

chemical compound

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subclass of

chemical compound

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mass

636.26427272 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₀N₄O₁₂

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canonical SMILES

CCC(C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(CC(=O)O)cc1)NC(C)=O)C(=O)O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)CC(=O)O)NC(=O)C

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Identifiers

InChI

InChI=1S/C29H40N4O12/c1-4-15(2)25(29(44)45)33-27(42)20(10-12-23(37)38)31-26(41)19(9-11-22(35)36)32-28(43)21(30-16(3)34)13-17-5-7-18(8-6-17)14-24(39)40/h5-8,15,19-21,25H,4,9-14H2,1-3H3,(H,30,34)(H,31,41)(H,32,43)(H,33,42)(H,35,36)(H,37,38)(H,39,40)(H,44,45)/t15-,19-,20-,21-,25-/m0/s1

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InChIKey

VGUWABWDFSPZNX-YDPDSYDBSA-N

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PubChem CID

444560

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matched by identifier from

InChIKey

VGUWABWDFSPZNX-YDPDSYDBSA-N

1 reference

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(Q76100852)

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-[4-(carboxymethyl)phenyl]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

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