(Q105125434)

English

(2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)-3-phenylpropanamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-[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-(methylamino)-3-phenylpropanimidic acid

1 reference

based on heuristic

inferred from SMILES

N-[(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-(methylamino)-3-phenylpropanimidic acid

1 reference

based on heuristic

inferred from SMILES

mass

554.289305696 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-N-[(3S,4S,7S,10E)-7-[(2R)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)-3-phenylpropanamide

1 reference

based on heuristic

inferred from InChI

(2S)-N-[(3R,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)-3-phenylpropanamide

1 reference

based on heuristic

inferred from InChI

(2S)-N-[(3R,4R,7R,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)-3-phenylpropanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₃₈N₄O₄

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Scutia buxifolia

1 reference

stated in

Cyclopeptide alkaloids from Scutia buxifolia Reiss and their antimicrobial activity

Identifiers

InChI

InChI=1S/C33H38N4O4/c1-4-22(2)28-32(39)35-20-19-23-15-17-26(18-16-23)41-30(25-13-9-6-10-14-25)29(33(40)36-28)37-31(38)27(34-3)21-24-11-7-5-8-12-24/h5-20,22,27-30,34H,4,21H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)/b20-19-/t22-,27-,28-,29-,30-/m0/s1

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InChIKey

JDFUVCMEHULMNF-DFHRQDDGSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JDFUVCMEHULMNF-DFHRQDDGSA-N

1 reference

(Q105125434)

(2S)-N-[(3S,4S,7S,10Z)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(methylamino)-3-phenylpropanamide

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