(Q105194532)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

500.336255888 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₄N₄O₄

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Ceanothus americanus

1 reference

stated in

Ceanothus alkaloids. II. Peptide alkaloids from Ceanothus americanus

Identifiers

InChI

InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19-,22+,23+,24+,25+/m1/s1

0 references

InChIKey

OMVRKRVDDRUXPW-VKKXVIDFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OMVRKRVDDRUXPW-VKKXVIDFSA-N

(Q105194532)

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

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