(Q105346381)

English

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

chemical compound

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type of chemical entity

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subclass of

N-{5,8-dihydroxy-7-[hydroxy(phenyl)methyl]-3-isopropyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl}-2-(dimethylamino)-3-phenylpropanimidic acid

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

584.29987038 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₀N₄O₅

0 references

canonical SMILES

CC(C)C1Oc2ccc(cc2)C=CNC(=O)C(C(O)c2ccccc2)NC(=O)C1NC(=O)C(Cc1ccccc1)N(C)C

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isomeric SMILES

CC(C)[C@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@@H]([C@H](O)c2ccccc2)NC(=O)[C@@H]1NC(=O)[C@H](Cc1ccccc1)N(C)C

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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/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-/t27-,28+,29+,30+,31+/m0/s1

0 references

InChIKey

YCOHIMQJGPGODE-BLFXJRSOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YCOHIMQJGPGODE-BLFXJRSOSA-N

(Q105346381)

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

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