(Q105021122)

English

(2S)-N-[(7S,10Z)-5,8-dihydroxy-3-phenyl-7-(sec-butyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

group of stereoisomers with the chemical formula C₃₄H₄₀N₄O₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

568.30495576 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₄₀N₄O₄

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canonical SMILES

CCC(C)C1NC(=O)C(NC(=O)C(Cc2ccccc2)N(C)C)C(c2ccccc2)Oc2ccc(cc2)C=CNC1=O

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isomeric SMILES

CCC(C)[C@@H]1NC(=O)C(NC(=O)[C@H](Cc2ccccc2)N(C)C)C(c2ccccc2)Oc2ccc(cc2)/C=C\NC1=O

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Identifiers

InChI

InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-/t23?,28-,29-,30?,31?/m0/s1

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InChIKey

GVFKEVFAPIUOAI-XCVGNSNISA-N

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PubChem CID

101938866

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GVFKEVFAPIUOAI-XCVGNSNISA-N

1 reference

(Q105021122)

(2S)-N-[(7S,10Z)-5,8-dihydroxy-3-phenyl-7-(sec-butyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-phenylpropanimidic acid

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