(Q104246253)

English

(3aS,7aS)-N-(5-carbamimidamido-1-hydroxypentan-2-yl)-6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-1-[(2S)-2-[(1-hydroxyhexylidene)amino]-3-(4-hydroxyphenyl)propanoyl]-octahydroindole-2-carboximidic acid

group of stereoisomers with the chemical formula C₃₅H₅₆N₆O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

720.4057919920002 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₅₆N₆O₁₀

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canonical SMILES

CCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1C(C(=O)NC(CO)CCCNC(=N)N)CC2CCC(OC3OC(CO)C(O)C3O)CC21

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isomeric SMILES

CCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1C(C(=O)NC(CO)CCCNC(=N)N)C[C@@H]2CCC(OC3OC(CO)C(O)C3O)C[C@@H]21

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Identifiers

InChI

InChI=1S/C35H56N6O10/c1-2-3-4-7-29(45)40-25(15-20-8-11-23(44)12-9-20)33(49)41-26-17-24(50-34-31(47)30(46)28(19-43)51-34)13-10-21(26)16-27(41)32(48)39-22(18-42)6-5-14-38-35(36)37/h8-9,11-12,21-22,24-28,30-31,34,42-44,46-47H,2-7,10,13-19H2,1H3,(H,39,48)(H,40,45)(H4,36,37,38)/t21-,22?,24?,25-,26-,27?,28?,30?,31?,34?/m0/s1

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InChIKey

NCDCOQKFTYCKNK-NPBDUSTLSA-N

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(Q104246253)

(3aS,7aS)-N-(5-carbamimidamido-1-hydroxypentan-2-yl)-6-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-1-[(2S)-2-[(1-hydroxyhexylidene)amino]-3-(4-hydroxyphenyl)propanoyl]-octahydroindole-2-carboximidic acid

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