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Ingredients

(2s,3s)-n-[(1s)-1-carbamoyl-3-methyl-butyl]-2-[[(2s)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-valeramide

C30H42N4O5

Entity Type
Ingredients
Relation Groups
2
Relation Preview
2

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(2s,3s)-n-[(1s)-1-carbamoyl-3-methyl-butyl]-2-[[(2s)-2-dimethylamino-3-phenyl-propanoyl]amino]-3-(4-formylphenoxy)-4-methyl-valeramide
Molecular Formula
C30H42N4O5
Molecular Weight
No data
Canonical SMILES
CC(C)CC(C(=O)N)NC(=O)C(C(C(C)C)OC1=CC=C(C=C1)C=O)NC(=O)C(CC2=CC=CC=C2)N(C)C
Isomeric SMILES
CC(C)C[C@@H](C(=O)N)NC(=O)[C@H]([C@H](C(C)C)OC1=CC=C(C=C1)C=O)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C
InChI
InChI=1S/C30H42N4O5/c1-19(2)16-24(28(31)36)32-30(38)26(27(20(3)4)39-23-14-12-22(18-35)13-15-23)33-29(37)25(34(5)6)17-21-10-8-7-9-11-21/h7-15,18-20,24-27H,16-17H2,1-6H3,(H2,31,36)(H,32,38)(H,33,37)/t24-,25-,26-,27-/m0/s1
Oral Bioavailability
15.660
Drug Likeness
0.299
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient1 Herbs
01
酸枣仁
Suan Zao Ren / Semen Ziziphi Spinosae; Ziziphi Spinosae Semen
Suan Zao RenSemen Ziziphi Spinosae; Ziziphi Spinosae Semen