(Q104246236)

English

(3aS,7aS)-1-[(2S)-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl]-6-hydroxy-N-{4-[N-(3-methylbut-2-en-1-yl)carbamimidamido]butyl}-octahydroindole-2-carboximidic acid

group of stereoisomers with the chemical formula C₃₇H₅₂N₆O₆

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instance of

group of stereoisomers

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1 reference

676.3948333839999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₅₂N₆O₆

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canonical SMILES

CC(C)=CCN(CCCCNC(=O)C1CC2CCC(O)CC2N1C(=O)C(Cc1ccccc1)NC(=O)C(O)Cc1ccc(O)cc1)C(=N)N

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isomeric SMILES

CC(C)=CCN(CCCCNC(=O)C1C[C@@H]2CCC(O)C[C@@H]2N1C(=O)[C@H](Cc1ccccc1)NC(=O)C(O)Cc1ccc(O)cc1)C(=N)N

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Identifiers

InChI

InChI=1S/C37H52N6O6/c1-24(2)16-19-42(37(38)39)18-7-6-17-40-34(47)32-22-27-12-15-29(45)23-31(27)43(32)36(49)30(20-25-8-4-3-5-9-25)41-35(48)33(46)21-26-10-13-28(44)14-11-26/h3-5,8-11,13-14,16,27,29-33,44-46H,6-7,12,15,17-23H2,1-2H3,(H3,38,39)(H,40,47)(H,41,48)/t27-,29?,30-,31-,32?,33?/m0/s1

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InChIKey

VUIOUJILJQINJJ-DXRWSKKOSA-N

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PubChem CID

163194725

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

VUIOUJILJQINJJ-DXRWSKKOSA-N

(Q104246236)

(3aS,7aS)-1-[(2S)-2-{[1,2-dihydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-phenylpropanoyl]-6-hydroxy-N-{4-[N-(3-methylbut-2-en-1-yl)carbamimidamido]butyl}-octahydroindole-2-carboximidic acid

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