(Q104403188)

English

(2S,3R)-N-[(3S,4S,7S,10E)-7-benzyl-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)-3-methylpentanamide

chemical compound

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instance of

type of chemical entity

0 references

subclass of

N-(7-benzyl-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)-3-methylpentanamide

1 reference

based on heuristic

inferred from SMILES

mass

534.320605824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S)-N-[(3S,4R,7R,10Z)-7-benzyl-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)-3-methylpentanamide

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R)-N-[(3S,4S,7S,10Z)-7-benzyl-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)-3-methylpentanamide

1 reference

based on heuristic

inferred from InChI

(2R,3R)-N-[(3R,4R,7S,10E)-7-benzyl-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)-3-methylpentanamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₂N₄O₄

0 references

canonical SMILES

CCC(C)C(C(=O)NC1C(=O)NC(Cc2ccccc2)C(=O)NC=Cc2ccc(cc2)OC1C(C)C)N(C)C

0 references

isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C/c2ccc(cc2)O[C@H]1C(C)C)N(C)C

0 references

found in taxon

Ziziphus nummularia

1 reference

stated in

An N-formyl cyclopeptide alkaloid from Zizyphus nummularia bark

Scutia buxifolia

2 references

stated in

Scutianine-J, a cyclopeptidic alkaloid isolated from scutia buxifolia

stated in

Cyclopeptide alkaloids from Scutia buxifolia Reiss and their antimicrobial activity

Condalia buxifolia

2 references

stated in

Antibacterial cyclopeptide alkaloids from the bark of Condalia buxifolia

stated in

Antibacterial cyclopeptide alkaloids from the bark of Condalia buxifolia

Melochia chamaedrys

1 reference

stated in

Constituents of the roots of Melochia chamaedrys

Ziziphus jujuba

1 reference

stated in

Cyclopeptide alkaloids from Zizyphus jujuba

Ziziphus mauritiana

1 reference

stated in

Cyclopeptide alkaloids from Zizyphus jujuba

Identifiers

InChI

InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(20(2)3)39-24-15-13-22(14-16-24)17-18-32-29(36)25(33-30(26)37)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17+/t21-,25+,26+,27+,28+/m1/s1

0 references

InChIKey

PFSHVBJLBKINQV-NSQIRMKLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFSHVBJLBKINQV-NSQIRMKLSA-N

1 reference

(Q104403188)

(2S,3R)-N-[(3S,4S,7S,10E)-7-benzyl-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)-3-methylpentanamide

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Identifiers

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