(Q105010844)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

N-[5,8-dihydroxy-3-isopropyl-7-(2-methylpropyl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-2-(dimethylamino)-3-methylbutanimidic acid

1 reference

based on heuristic

inferred from SMILES

mass

486.320605824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂N₄O₄

0 references

canonical SMILES

CC(C)CC1NC(=O)C(NC(=O)C(C(C)C)N(C)C)C(C(C)C)Oc2ccc(cc2)C=CNC1=O

0 references

isomeric SMILES

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

0 references

found in taxon

Christiana africana

1 reference

stated in

New Components Including Cyclopeptides from Barks ofChristiana africanaDC. (Tiliaceae)

Identifiers

InChI

InChI=1S/C27H42N4O4/c1-16(2)15-21-25(32)28-14-13-19-9-11-20(12-10-19)35-24(18(5)6)22(26(33)29-21)30-27(34)23(17(3)4)31(7)8/h9-14,16-18,21-24H,15H2,1-8H3,(H,28,32)(H,29,33)(H,30,34)/b14-13-/t21-,22-,23-,24-/m0/s1

0 references

InChIKey

GLEAVNMWEMDRQC-SBGIFIGLSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105010844)

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

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